SCHEMBL4539265

SCHEMBL4539265

O=C(O)Cn1cnccc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
CSNK2A2 P19784 2/20 0.41
CSNK2A1 P68400 2/20 0.41
ADORA2B P29275 1/20 0.41
TBXAS1 P24557 1/20 0.40
PTGS2 P35354 1/20 0.40
USP7 Q93009 1/20 0.39
ADRB3 P13945 1/20 0.38
SLC6A4 P31645 1/20 0.38
EIF4EBP1 Q13541 1/20 0.38
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL11964125 0.83 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL20083753 0.75 TSHR (0.49) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL9965999 0.74
SCHEMBL20083782 0.74
SCHEMBL20083825 0.73 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL22091424 0.73 MEN1 (0.51) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL27453621 0.72 KDM4C (0.55) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL10436837 0.71 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTADORA2BUSP7
SCHEMBL28059053 0.69 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTTBXAS1
SCHEMBL1155646 0.69 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBMAPTCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851449-B2 Heterocyclic amide compounds having an RORvt inhibitory action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-26 US disclosed
EP-3018123-B1 AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-05-10 EP disclosed
US-20210277030-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-09-09 US disclosed
US-11053262-B2 Heterocyclic amide compounds having RORyT inhibitory action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-07-06 US disclosed
US-10472376-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-11-12 US disclosed
US-20180319812-A1 HETEROCYCLIC COMPOUND ACTION MEDICAL TECHNOLOGIES, LLC 2018-11-08 US disclosed
US-10053468-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-21 US disclosed
US-20170107240-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-20 US disclosed
US-20170050974-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
EP-3018126-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-05-11 EP disclosed
US-5736535-A 1-pyrimidinylacetamide compounds which are inhibitors of human leukocyte elastase ZENECA LIMITED (GB) 1998-04-07 US disclosed
EP-0636143-B1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LTD (GB) 1997-09-24 EP disclosed
EP-0636141-B1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LTD (GB) 1997-06-25 EP disclosed
US-5441960-A 1-pyrimidinylacetamide human leukocyte elastate inhibitors ZENECA LIMITED (GB) 1995-08-15 US disclosed
EP-0636143-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS. ZENECA LTD (GB) 1995-02-01 EP disclosed
EP-0636141-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS. ZENECA LTD (GB) 1995-02-01 EP disclosed
WO-1993021214-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO disclosed
WO-1993021210-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO disclosed
US-5254558-A Substituted 1,3-diazines as leukocyte elastase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0528633-A1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LIMITED (GB) 1993-02-24 EP 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 (8 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-10053468-B2 Heterocyclic compound RORC, RORB, RORA ALDH1A1 210/4885SMN1; SMN2 4127/4885KDM4E 925/4885
US-20170050974-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA ALDH1A1 210/4885SMN1; SMN2 4127/4885KDM4E 925/4885
US-20170107240-A1 AMIDE COMPOUND RORB, RORC, RORA ALDH1A1 380/4885SMN1; SMN2 4136/4885KDM4E 740/4885
US-20180319812-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA ALDH1A1 210/4885SMN1; SMN2 4127/4885KDM4E 925/4885
US-20210277030-A1 AMIDE COMPOUND RORB, RORC, RORA ALDH1A1 380/4885SMN1; SMN2 4136/4885KDM4E 740/4885
US-11851449-B2 Heterocyclic amide compounds having an RORvt inhibitory action RORB, RORC, RORA ALDH1A1 232/4885SMN1; SMN2 3917/4885KDM4E 1419/4885
US-11053262-B2 Heterocyclic amide compounds having RORyT inhibitory action RORC, RORB, RORA ALDH1A1 336/4885SMN1; SMN2 4241/4885KDM4E 1432/4885
US-10472376-B2 Amide compound RORB, RORC, RORA ALDH1A1 380/4885SMN1; SMN2 4136/4885KDM4E 740/4885

“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.