SCHEMBL10371014

SCHEMBL10371014

CCOc1nc(C)ccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HDAC1 Q13547 1/20 0.44
MAPK8 P45983 2/20 0.43
MAPK9 P45984 2/20 0.43
MAPK10 P53779 2/20 0.43
HRH4 Q9H3N8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SQOR Q9Y6N5 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL15831920 0.86 L3MBTL1 (0.43) L3MBTL1GAATDP1MAPTKDM4E
SCHEMBL15831912 0.85 GAA (0.42) L3MBTL1GAATDP1MAPTKDM4E
SCHEMBL15831906 0.84 L3MBTL1 (0.42) L3MBTL1GAATDP1MAPTKDM4E
SCHEMBL15831921 0.83 ALDH1A1 (0.45) L3MBTL1GAATDP1MAPTKDM4E
SCHEMBL15831951 0.82 L3MBTL1 (0.40) L3MBTL1GAATDP1MAPTKDM4E
SCHEMBL15831911 0.82 ALDH1A1 (0.47) L3MBTL1GAATDP1MAPTKDM4E
SCHEMBL26750091 0.81 HDAC1 (0.41) L3MBTL1GAATDP1MAPTKDM4E
SCHEMBL15831917 0.81 MAP3K7 (0.46) L3MBTL1HDAC1MEN1KMT2A
SCHEMBL15831942 0.81 HDAC1 (0.55) L3MBTL1GAATDP1MAPTKDM4E
SCHEMBL15831949 0.81 L3MBTL1 (0.45) L3MBTL1GAATDP1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
EP-0186049-B1 N-SUBSTITUTED AZIRIDINE-2-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AS WELL AS MEDICAMENTS CONTAINING THESE SUBSTANCES Roche Diagnostics GmbH (DE) 1990-07-04 EP disclosed
US-4826858-A IMMUNO-STIMULATING AND IMMUNO-MODULATING ACTIVATIES BOEHRINGER MANNHEIM GMBH (DE) 1989-05-02 US disclosed
EP-0186049-A1 N-substituted aziridine-2-carboxylic acid derivatives, process for their preparation as well as medicaments containing these substances Roche Diagnostics GmbH (DE) 1986-07-02 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 (3 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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 L3MBTL1 3202/4885GAA 4839/4885TDP1 3833/4885
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 L3MBTL1 828/4885GAA 9/4885TDP1 1504/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 L3MBTL1 4845/4885GAA 3229/4885TDP1 4819/4885

“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.