SCHEMBL2877982

SCHEMBL2877982

CS(=O)(=O)c1cc(NC(=O)O)cc(-c2cc(C3CC3)[nH]n2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.42
▸ CCNA2 P20248 12/20 0.42
▸ CCNA1 P78396 12/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SPR P35270 1/20 0.37

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
SCHEMBL2878902 0.78 MEN1 (0.43) HCAR2USP30HTT
SCHEMBL4789856 0.77 HCAR2 (0.39) CDK2CCNA2CCNA1HCAR2TDP1
SCHEMBL28949900 0.68 POLB (0.40) —
SCHEMBL17948808 0.66 CCNA2 (0.60) CDK2CCNA2CCNA1HCAR2USP30
SCHEMBL2374222 0.65 DRD4 (0.67) HCAR2USP30
SCHEMBL5867504 0.64 CDK2 (0.71) CDK2CCNA2CCNA1
SCHEMBL3346932 0.64 USP30 (0.47) CDK2CCNA2CCNA1HCAR2USP30
SCHEMBL71054 0.64 DRD4 (0.52) CDK2CCNA2CCNA1USP30
SCHEMBL90870 0.64 DRD4 (0.48) CDK2CCNA2CCNA1USP30HTT
SCHEMBL90978 0.64 DRD4 (0.48) CDK2CCNA2CCNA1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410100-B2 Pteridinone derivatives as PI3-kinases inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 — — US disclosed
EP-2114945-B1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2010-10-20 — — EP disclosed
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 — — US disclosed
EP-2114945-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 — — EP disclosed
WO-2008092831-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-07 — — WO disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 — — EP 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-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS PIK3CA, PDPK1, PIK3C3 CDK2 207/4885CCNA2 1622/4885CCNA1 626/4885

“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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