SCHEMBL4908646

SCHEMBL4908646

O=C(Nc1ncc(-c2cc(C(=O)O)c3cn[nH]c3n2)s1)Nc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ROCK1 Q13464 1/20 0.37
TP53 P04637 1/20 0.37
PSMD14 O00487 1/20 0.37
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
GAA P10253 1/20 0.36
AGTR1 P30556 1/20 0.36
APOBEC3G Q9HC16 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
SCHEMBL4724837 0.94 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL4723548 0.91 ROCK1 (0.42) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL4721935 0.90 RIPK1 (0.40) NTRK1
SCHEMBL4725018 0.85 KDR (0.44) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL4724126 0.84 CNR1 (0.47) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL4764052 0.83 GRIK1 (0.43) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL4720666 0.83 BLM (0.44) MAPTTP53CCNE1CDK2CNR1
SCHEMBL4723103 0.83 CNR1 (0.55) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL4724487 0.83 NPC1 (0.45) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL1325609 0.83 KDR (0.41) CCNE1CDK2

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 NTRK1 3933/4885MEN1 2501/4885KMT2A 906/4885

“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.