SCHEMBL4765909

SCHEMBL4765909

O=C(Nc1cccc(SC(F)(F)F)c1)Nc1ncc(-c2cc(C(=O)O)c3cn[nH]c3n2)s1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.45
KCNK2 O95069 1/20 0.40
RXFP1 Q9HBX9 2/20 0.38
CNR1 P21554 1/20 0.38
KDR P35968 2/20 0.37
TEK Q02763 1/20 0.37
RPS6KB1 P23443 1/20 0.37
FLT3 P36888 3/20 0.36
BRAF P15056 3/20 0.36
CCNE1 P24864 1/20 0.36
CDK3 Q00526 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35

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
SCHEMBL4721629 0.87 FLT3 (0.49) TRPV1KDRFLT3BRAF
SCHEMBL4724126 0.86 CNR1 (0.47) CNR1RPS6KB1FLT3BRAFCCNE1
SCHEMBL4721455 0.85 MEN1 (0.48) CNR1KDRFLT3
SCHEMBL4721577 0.83 FLT3 (0.48) CNR1KDRRPS6KB1FLT3CCNE1
SCHEMBL1322579 0.83 SMYD2 (0.48) BRAF
SCHEMBL4721735 0.82 FLT3 (0.51) FLT3
SCHEMBL4764295 0.82 BLM (0.44) CNR1ROCK2ROCK1
SCHEMBL4720666 0.82 BLM (0.44) CNR1KDRRPS6KB1FLT3BRAF
SCHEMBL4724733 0.81 FLT3 (0.46) CNR1KDRFLT3
SCHEMBL4724468 0.80 MAPT (0.46) CNR1RPS6KB1ROCK2ROCK1

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 TRPV1 4861/4885KCNK2 3166/4885RXFP1 4840/4885

“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.