SCHEMBL5230705

SCHEMBL5230705

NC(=O)c1nn(-c2ccc(F)cc2)c2c1ccc1[nH]ncc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.52
CCNA2 P20248 15/20 0.52
CCNA1 P78396 15/20 0.52
SCN9A Q15858 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
F10 P00742 1/20 0.38
IKBKB O14920 1/20 0.38
CCNE1 P24864 1/20 0.37
CDK3 Q00526 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
SCHEMBL5227808 0.88 CCNA2 (0.43) CDK2CCNA2CCNA1SCN9ACYP3A4
SCHEMBL5225569 0.88 CCNA2 (0.52) CDK2CCNA2CCNA1IKBKB
SCHEMBL5230469 0.88 CDK2 (0.52) CDK2CCNA2CCNA1TRPV1CYP3A4
SCHEMBL5229177 0.88 CCNA2 (0.50) CDK2CCNA2CCNA1SCN9ALMNA
SCHEMBL5226943 0.88 CDK2 (0.54) CDK2CCNA2CCNA1SCN9ATRPV1
SCHEMBL5228742 0.87 CCNA2 (0.54) CDK2CCNA2CCNA1SCN9ATRPV1
SCHEMBL5230050 0.87 CCNA2 (0.42) CDK2CCNA2CCNA1SCN9ANPC1
SCHEMBL5227507 0.85 CDK2 (0.54) CDK2CCNA2CCNA1IKBKB
SCHEMBL5225453 0.85 CCNA2 (0.54) CDK2CCNA2CCNA1SCN9AIKBKB
SCHEMBL5228781 0.85 CCNA2 (0.54) CDK2CCNA2CCNA1SCN9ATRPV1

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
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
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 (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-20050176796-A1 Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents TP53, NFATC1, MAP3K15 CDK2 178/4885CCNA2 1338/4885CCNA1 1187/4885

“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.