SCHEMBL178429

SCHEMBL178429

Cc1ccc(NC(=O)C(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
ALDH1A1 P00352 7/20 0.63
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
RXFP1 Q9HBX9 1/20 0.63
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
HTT P42858 2/20 0.59
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
HPGD P15428 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
MLYCD O95822 1/20 0.58
POLB P06746 1/20 0.57
NPC1 O15118 3/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18880072 0.91 ALDH1A1 (0.73) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL30729658 0.85 MAPT (0.69) MAPTALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL20150737 0.83 MAPT (0.67) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL12997450 0.83 MAPT (0.67) MAPTALDH1A1RAB9AHTTCA12
SCHEMBL10975281 0.83 MAPT (0.67) MAPTALDH1A1RAB9AHTTCA12
SCHEMBL20150736 0.83 MAPT (0.67) MAPTALDH1A1RAB9ASMN1; SMN2NPSR1
SCHEMBL26502909 0.83 MAPT (1.00) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL13390897 0.83 KMT2A (0.63) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL8691196 0.83 ALDH1A1 (0.63) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL2608916 0.83 MAPT (0.63) MAPTALDH1A1KMT2AMEN1RXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-11680074-B2 Compounds, functionalised dioxaborolane or dioxaborinane derivatives, method for preparing same and uses thereof ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2023-06-20 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
EP-3464300-B1 NOVEL COMPOUNDS, FUNCTIONALISED DIOXABOROLANE OR DIOXABORINANE DERIVATIVES, METHOD FOR PREPARING SAME AND USES THEREOF ECOLE SUPERIEURE DE PHYSIQUE ET CHIMIE IND DE LA VILLE DE PARIS (FR) 2021-12-01 EP disclosed
WO-2021212039-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-10-21 WO disclosed
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 US disclosed
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070014725-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy SCHERING AG (DE) 2007-01-18 US disclosed
US-20070014725-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy SCHERING AG (DE) 2007-01-18 US disclosed
US-7164016-B2 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-16 US disclosed
US-7164016-B2 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-16 US disclosed
US-20070009442-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-11 US disclosed
US-20070009442-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-11 US disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A MAPT 4661/4885ALDH1A1 983/4885KMT2A 4505/4885
US-20070014725-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy CA13, CA14, CA12 MAPT 1536/4885ALDH1A1 2758/4885KMT2A 2370/4885
US-11680074-B2 Compounds, functionalised dioxaborolane or dioxaborinane derivatives, method for preparing same and uses thereof RDX, XDH, NOX4 MAPT 4464/4885ALDH1A1 944/4885KMT2A 3603/4885
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MAPT 3547/4885ALDH1A1 3413/4885KMT2A 780/4885
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT MAPT 3649/4885ALDH1A1 373/4885KMT2A 556/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 MAPT 3688/4885ALDH1A1 2035/4885KMT2A 916/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 MAPT 3547/4885ALDH1A1 3413/4885KMT2A 780/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPT 3082/4885ALDH1A1 1079/4885KMT2A 1449/4885
US-20070009442-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules CA13, MPI, CA14 MAPT 1267/4885ALDH1A1 3392/4885KMT2A 2384/4885
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 MAPT 2124/4885ALDH1A1 284/4885KMT2A 155/4885
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 MAPT 2124/4885ALDH1A1 284/4885KMT2A 155/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 MAPT 3547/4885ALDH1A1 3413/4885KMT2A 780/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 MAPT 4312/4885ALDH1A1 3634/4885KMT2A 3983/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.