SCHEMBL5448808

SCHEMBL5448808

CC(C)NC(=O)c1cccc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.70
NPSR1 Q6W5P4 1/20 0.59
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.57
GFER P55789 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
GPR139 Q6DWJ6 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ATM Q13315 1/20 0.55
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
CHRNA1 P02708 1/20 0.54
CHRNG P07510 1/20 0.54
ITGA5 P08648 1/20 0.54
CHRNB1 P11230 1/20 0.54
CHRNB2 P17787 1/20 0.54
SLC6A2 P23975 1/20 0.54

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
SCHEMBL8593124 0.87 NPSR1 (0.69) HPGDNPSR1LMNAKMT2AATM
SCHEMBL13753410 0.86 HPGD (0.62) HPGDNPC1RAB9ALMNAGPR139
SCHEMBL7399516 0.85 HPGD (0.66) HPGDNPC1RAB9ALMNAPOLB
SCHEMBL2159492 0.85 HPGD (0.61) HPGDNPC1RAB9ALMNAGPR139
SCHEMBL5747070 0.85 HPGD (0.61) HPGDNPC1RAB9ALMNAGPR139
SCHEMBL13753580 0.83 HPGD (0.72) HPGDNPC1RAB9ALMNAGPR139
SCHEMBL22151090 0.83 HPGD (0.59) HPGDNPC1RAB9ALMNAGPR139
SCHEMBL8802537 0.83 HPGD (0.59) HPGDNPC1RAB9ALMNAGPR139
SCHEMBL8737626 0.83 HPGD (0.72) HPGDNPC1RAB9ALMNAGPR139
SCHEMBL13753670 0.83 HPGD (1.00) HPGDNPC1RAB9ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-11858879-B2 PARG inhibitors and method of use thereof CITY OF HOPE (US) 2024-01-02 US disclosed
US-11858879-B2 PARG inhibitors and method of use thereof CITY OF HOPE (US) 2024-01-02 US disclosed
EP-3694502-B1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP 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
US-20220002231-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2022-01-06 US disclosed
US-11111232-B2 Substituted cyclobutylpyridine and cyclobutylpyrimidine compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-09-07 US disclosed
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2020-10-29 US disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
US-7354919-B2 Isoxazole compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-08 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-20070031514-A1 Use of isoindolinone derivatives as insecticides BAYER CROPSCIENCE AG (DE) 2007-02-08 US disclosed
EP-1635639-A1 USE OF ISOINDOLINONE DERIVATIVES AS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-03-22 EP disclosed
WO-2004110149-A1 USE OF ISOINDOLINONE DERIVATIVES AS INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-23 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 (12 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV HPGD 2690/4885NPSR1 2641/4885NPC1 2035/4885
US-20220002231-A1 PARG INHIBITORS AND METHOD OF USE THEREOF PARG, PARP12, PARP15 HPGD 152/4885NPSR1 3995/4885NPC1 2270/4885
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 HPGD 1521/4885NPSR1 4173/4885NPC1 4797/4885
US-20070031514-A1 Use of isoindolinone derivatives as insecticides DDT, CYP1A2, CYP1A1 HPGD 1738/4885NPSR1 2093/4885NPC1 2304/4885
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 HPGD 2639/4885NPSR1 4842/4885NPC1 4566/4885
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 HPGD 1511/4885NPSR1 4297/4885NPC1 4408/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 HPGD 1521/4885NPSR1 4173/4885NPC1 4797/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 HPGD 1521/4885NPSR1 4173/4885NPC1 4797/4885
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 HPGD 951/4885NPSR1 1606/4885NPC1 97/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 HPGD 1521/4885NPSR1 4173/4885NPC1 4797/4885
US-11111232-B2 Substituted cyclobutylpyridine and cyclobutylpyrimidine compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU HPGD 83/4885NPSR1 2008/4885NPC1 2330/4885
US-11858879-B2 PARG inhibitors and method of use thereof PARG, PARP12, PARP15 HPGD 152/4885NPSR1 3995/4885NPC1 2270/4885

“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.