SCHEMBL4764052

SCHEMBL4764052

O=C(Nc1ncc(-c2cc(C(=O)O)c3cn[nH]c3n2)s1)Nc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CNR1 P21554 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
PAK1 Q13153 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
PPARG P37231 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4723548 0.89 ROCK1 (0.42) GRIK1ROCK1CCNE1CDK2CDK5
SCHEMBL4724126 0.88 CNR1 (0.47) ROCK2ROCK1CNR1CCNE1CDK2
SCHEMBL4724487 0.86 NPC1 (0.45) GRIK1SMN1; SMN2MEN1KMT2ASMYD2
SCHEMBL4724468 0.85 MAPT (0.46) ROCK2ROCK1CNR1CDK5PAK1
SCHEMBL4723103 0.85 CNR1 (0.55) GRIK1ROCK2ROCK1CNR1CCNE1
SCHEMBL4721455 0.84 MEN1 (0.48) GRIK1CNR1PAK1SMN1; SMN2KDM4E
SCHEMBL4908646 0.83 NTRK1 (0.41) ROCK1CNR1CCNE1CDK2CDK5
SCHEMBL4725018 0.83 KDR (0.44) CNR1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL4724837 0.83 MEN1 (0.47) ROCK1PAK1SMN1; SMN2KDM4EMEN1
SCHEMBL4720639 0.83 IKBKB (0.40) GRIK1CCNE1CDK2CDK5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912988-B1 7-SUBSTITUTED AZA-INDAZOLES, COMPOSITIONS CONTAINING SAME, PRODUCTION METHOD AND USE THEREOF AVENTIS PHARMA SA (FR) 2014-04-16 EP claimed
US-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-31 US claimed
EP-1912988-A1 7-SUBSTITUTED AZA-INDAZOLES, COMPOSITIONS CONTAINING SAME, PRODUCTION METHOD AND USE THEREOF Aventis Pharma S.A. (FR) 2008-04-23 EP claimed
WO-2007017577-A1 7-SUBSTITUTED AZA-INDAZOLES, COMPOSITIONS CONTAINING SAME, PRODUCTION METHOD AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2007-02-15 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof PRMT7, PRKACA, PRKX GRIK1 1704/4885ROCK2 757/4885ROCK1 889/4885

“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.