SCHEMBL5226943

SCHEMBL5226943

NC(=O)c1nn(-c2cccc(F)c2)c2c1ccc1[nH]ncc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.54
CCNA2 P20248 7/20 0.54
CCNA1 P78396 7/20 0.54
TRPV1 Q8NER1 2/20 0.44
MAP3K14 Q99558 3/20 0.38
CCNE1 P24864 1/20 0.38
CDK3 Q00526 1/20 0.38
SCN9A Q15858 1/20 0.38
F10 P00742 1/20 0.37
MAPK14 Q16539 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
RPS6KB1 P23443 1/20 0.36

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
SCHEMBL5227704 0.88 CDK2 (0.53) CDK2CCNA2CCNA1TRPV1MAP3K14
SCHEMBL5230705 0.88 CDK2 (0.52) CDK2CCNA2CCNA1TRPV1CCNE1
SCHEMBL5229177 0.87 CCNA2 (0.50) CDK2CCNA2CCNA1SCN9AKMT2A
SCHEMBL5230389 0.87 CCNA2 (0.54) CDK2CCNA2CCNA1MAP3K14GAA
SCHEMBL5229894 0.82 CCNA2 (0.53) CDK2CCNA2CCNA1SCN9AF10
SCHEMBL5227808 0.81 CCNA2 (0.43) CDK2CCNA2CCNA1SCN9AF10
SCHEMBL5225569 0.81 CCNA2 (0.52) CDK2CCNA2CCNA1
SCHEMBL5230469 0.81 CDK2 (0.52) CDK2CCNA2CCNA1TRPV1CCNE1
SCHEMBL5228742 0.80 CCNA2 (0.54) CDK2CCNA2CCNA1TRPV1SCN9A
SCHEMBL5230050 0.80 CCNA2 (0.42) CDK2CCNA2CCNA1SCN9ANPC1

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.