SCHEMBL5227766

SCHEMBL5227766

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.52
CCNA2 P20248 5/20 0.52
CCNA1 P78396 5/20 0.52
ALDH1A1 P00352 2/20 0.40
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
TRPV1 Q8NER1 4/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK3 Q00526 1/20 0.35
METTL3 Q86U44 1/20 0.35
PTGS2 P35354 2/20 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
SCHEMBL5225569 0.89 CCNA2 (0.52) CDK2CCNA2CCNA1ALDH1A1
SCHEMBL5226690 0.78 MAPK1 (0.42) CDK2CCNA2CCNA1ALDH1A1CCNE1
SCHEMBL5230295 0.77 CCNA2 (0.53) CDK2CCNA2CCNA1ALDH1A1TRPV1
SCHEMBL5230389 0.77 CCNA2 (0.54) CDK2CCNA2CCNA1ALDH1A1
SCHEMBL5228714 0.77 ROCK2 (0.45) CDK2CCNA2CCNA1ALDH1A1CCNE1
SCHEMBL5227808 0.77 CCNA2 (0.43) CDK2CCNA2CCNA1
SCHEMBL5230469 0.77 CDK2 (0.52) CDK2CCNA2CCNA1TRPV1CCNE1
SCHEMBL5230705 0.77 CDK2 (0.52) CDK2CCNA2CCNA1TRPV1LMNA
SCHEMBL5228781 0.76 CCNA2 (0.54) CDK2CCNA2CCNA1ALDH1A1TRPV1
SCHEMBL5229177 0.76 CCNA2 (0.50) CDK2CCNA2CCNA1ALDH1A1LMNA

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.