SCHEMBL12895651

SCHEMBL12895651

O=C(NOc1ccccc1)c1cc2c(-c3cc4ccccc4[nH]3)n[nH]c2s1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 17/20 0.48
▸ KDR P35968 2/20 0.43
▸ FGFR1 P11362 2/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCND3 P30281 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
SCHEMBL6415974 0.82 ITK (0.62) ITKKDRFGFR1
SCHEMBL6409013 0.73 KDR (0.45) KDRFGFR1CHEK1CDK4CCND1
SCHEMBL6409018 0.73 KDR (0.45) KDRFGFR1CHEK1CDK4CCND1
SCHEMBL6410583 0.72 CLK2 (0.49) ITK
SCHEMBL12895653 0.71 ABL1 (0.45) KDR
SCHEMBL6410524 0.70 ITK (0.52) ITKCHEK1
SCHEMBL4136943 0.67 CA12 (0.49) KDRCDK4CCNA2CCND1CDK2
SCHEMBL6408513 0.67 MAPT (0.57) KDRCCNA2CDK2
SCHEMBL34468781 0.66 SMYD3 (0.55) KDRCHEK1
SCHEMBL5638533 0.66 ITK (0.81) ITKKDRFGFR1CHEK1CDK4

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
US-7884123-B2 3-(1H-indol-2-yl)-1H-thieno[2,3-c]pyrazole-5-(N-phenoxycarboxamide); anticancer agents; protein kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-02-08 — — US disclosed
US-7884123-B2 3-(1H-indol-2-yl)-1H-thieno[2,3-c]pyrazole-5-(N-phenoxycarboxamide); anticancer agents; protein kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-02-08 — — US disclosed
US-20080058402-A1 Substituted Thieno[2,3-c]pyrazoles, Process for Preparing Them, Compositions Containing Them, and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-03-06 — — US disclosed
US-20080058402-A1 Substituted Thieno[2,3-c]pyrazoles, Process for Preparing Them, Compositions Containing Them, and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-03-06 — — 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-20080058402-A1 Substituted Thieno[2,3-c]pyrazoles, Process for Preparing Them, Compositions Containing Them, and Use Thereof TYMS, TYMP, CYP3A43 ITK 961/4885KDR 2229/4885FGFR1 3035/4885

“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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