SCHEMBL3432979

SCHEMBL3432979

CCOc1ccnc(Cl)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3803812 0.87 MAPK1 (0.40) MAPK1L3MBTL1HPGDKDM4EALDH1A1
SCHEMBL29530414 0.82 MAPK1 (0.59) MAPK1L3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL1313329 0.82 MAPK1 (0.59) MAPK1L3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL27525988 0.81 HPGD (0.56) MAPK1L3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL30525604 0.79 SMN1; SMN2 (0.42) MAPK1L3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL25330718 0.79 MAPK1 (0.37) MAPK1L3MBTL1HPGDKDM4EALDH1A1
SCHEMBL5233239 0.78 MAPK1 (0.41) MAPK1L3MBTL1HPGDKDM4EALDH1A1
SCHEMBL31328995 0.78 NPC1 (0.49) NPC1RAB9ASQOR
SCHEMBL9929711 0.77 MEN1 (0.42) MAPK1L3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL22978638 0.77 SMN1; SMN2 (0.44) MAPK1L3MBTL1HPGDSMN1; SMN2KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023185811-A1 NOVEL HETEROCYCLIC COMPOUND 首药控股(北京)股份有限公司 2023-10-05 WO disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2187893-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2010-05-26 EP disclosed
WO-2010028005-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
WO-2009111676-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC (US) 2009-09-11 WO disclosed
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-20060189639-A1 Antagonists of the mGlu receptor and uses thereof ABBOTT LABORATORIES 2006-08-24 US disclosed
WO-2006081072-A1 ANTAGONISTS OF THE MGLU RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2006-08-03 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 (2 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-20060189639-A1 Antagonists of the mGlu receptor and uses thereof GRM3, GRM4, GRIA4 MAPK1 3105/4885L3MBTL1 1141/4885HPGD 1000/4885
US-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 MAPK1 520/4885L3MBTL1 4177/4885HPGD 2215/4885

“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.