SCHEMBL5228714

SCHEMBL5228714

CC(=O)Nc1ccc(-n2nc(C(N)=O)c3ccc4[nH]ncc4c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
GAA P10253 2/20 0.43
CDK2 P24941 11/20 0.41
CCNA2 P20248 10/20 0.41
CCNA1 P78396 10/20 0.41
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK3 Q00526 1/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL5225569 0.85 CCNA2 (0.52) CDK2CCNA2CCNA1ALDH1A1
SCHEMBL5230469 0.83 CDK2 (0.52) ROCK2CDK2CCNA2CCNA1CCNE1
SCHEMBL5227808 0.83 CCNA2 (0.43) ROCK2CDK2CCNA2CCNA1CYP3A4
SCHEMBL5230705 0.83 CDK2 (0.52) CDK2CCNA2CCNA1CCNE1CDK3
SCHEMBL5229177 0.83 CCNA2 (0.50) ROCK2CDK2CCNA2CCNA1MAPT
SCHEMBL5228781 0.82 CCNA2 (0.54) GAACDK2CCNA2CCNA1MAPT
SCHEMBL5230050 0.82 CCNA2 (0.42) CDK2CCNA2CCNA1NPC1RAB9A
SCHEMBL5226285 0.82 CCNA2 (0.58) GAACDK2CCNA2CCNA1
SCHEMBL5226367 0.81 CCNA2 (0.55) CDK2CCNA2CCNA1
SCHEMBL5225453 0.80 CCNA2 (0.54) CDK2CCNA2CCNA1

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 ROCK2 3062/4885ROCK1 2584/4885GAA 989/4885
US-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 ROCK2 478/4885ROCK1 279/4885GAA 2317/4885

“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.