SCHEMBL5226526

SCHEMBL5226526

CNC(=O)c1nn(-c2ccc(S(C)(=O)=O)cc2)c2c1ccc1[nH]ncc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 5/20 0.44
CDK2 P24941 5/20 0.44
CCNA1 P78396 5/20 0.44
PLK4 O00444 1/20 0.39
YTHDC1 Q96MU7 1/20 0.38
LRRK2 Q5S007 1/20 0.37
RAF1 P04049 2/20 0.35
BRAF P15056 2/20 0.35
CSNK2A1 P68400 1/20 0.35
PIK3CA P42336 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
METAP2 P50579 1/20 0.34
CCR1 P32246 2/20 0.34
GAA P10253 1/20 0.34
IKBKB O14920 1/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL5230251 0.91 CDK2 (0.44) CCNA2CDK2CCNA1YTHDC1IKBKB
SCHEMBL5228506 0.89 CCNA2 (0.46) CCNA2CDK2CCNA1YTHDC1CCR1
SCHEMBL5226367 0.87 CCNA2 (0.55) CCNA2CDK2CCNA1LRRK2PIK3CA
SCHEMBL12886440 0.84 CDK2 (0.46) CCNA2CDK2CCNA1YTHDC1
SCHEMBL5225572 0.84 CCNA2 (0.52) CCNA2CDK2CCNA1GAA
SCHEMBL5226285 0.81 CCNA2 (0.58) CCNA2CDK2CCNA1CCR1GAA
SCHEMBL5227507 0.77 CDK2 (0.54) CCNA2CDK2CCNA1BRAFIKBKB
SCHEMBL5225835 0.76 CCNA2 (0.57) CCNA2CDK2CCNA1IKBKB
SCHEMBL5225870 0.75 CDK2 (0.56) CCNA2CDK2CCNA1
SCHEMBL5229147 0.74 CCNA2 (0.56) CCNA2CDK2CCNA1GAA

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
EP-1478357-B1 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-01-31 EP claimed
US-20050176796-A1 Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2005-08-11 US claimed
US-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-02-10 US disclosed
US-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-02-10 US disclosed
EP-1478357-B1 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-01-31 EP disclosed
US-20050176796-A1 Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2005-08-11 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 (2 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-20050176796-A1 Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents TP53, NFATC1, MAP3K15 CCNA2 1338/4885CDK2 178/4885CCNA1 1187/4885
US-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 CCNA2 1285/4885CDK2 171/4885CCNA1 382/4885

“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.