SCHEMBL6414586

SCHEMBL6414586

O=C(Cc1ccccc1)Nc1cc2c(-c3ccccc3)n[nH]c2s1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 7/20 0.50
▸ ROCK2 O75116 4/20 0.50
▸ AURKA O14965 1/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ TTK P33981 1/20 0.46
▸ NPY5R Q15761 1/20 0.45
▸ CCNA2 P20248 2/20 0.44
▸ CCNA1 P78396 2/20 0.44
▸ ELOVL1 Q9BW60 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GLS O94925 1/20 0.42
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL6410583 0.84 CLK2 (0.49) ROCK1AURKA
SCHEMBL6413156 0.73 KDR (0.66) ROCK2AURKACDK2TTK
SCHEMBL4631768 0.73 CDK2 (0.52) AURKACDK2CCNE1CDK5CCNA2
SCHEMBL6417097 0.72 KDM4E (0.52) AURKACDK2TTKNPSR1
SCHEMBL4632615 0.71 CDK2 (0.50) AURKACDK2CCNE1CDK5NPY5R
SCHEMBL6408513 0.71 MAPT (0.57) ROCK1ROCK2CDK2CCNA2CCNA1
SCHEMBL6414579 0.70 ROCK2 (0.49) ROCK2TTKKMT2A
SCHEMBL2753572 0.68 RORC (0.74) CDK2CCNE1CDK5ELOVL1ADORA2A
SCHEMBL6413091 0.68 MAPT (0.48) MAPTKMT2A
SCHEMBL9613363 0.67 KDM4E (0.60) ROCK2AURKAMAPTKMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026984-A1 Substituted thieno [2,3-c] pyrazoles and their use as medicinal products AVENTIS PHARMA S.A. (FR) 2005-02-03 — — US 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 (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-20050026984-A1 Substituted thieno [2,3-c] pyrazoles and their use as medicinal products TPMT, PARK7, PRNP ROCK1 3240/4885ROCK2 2601/4885AURKA 941/4885

“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.

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