SCHEMBL5225030

SCHEMBL5225030

CCOC(=O)c1nn(CC(F)(F)F)c2c1CCc1[nH]nc(Nc3ccccc3)c1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 8/20 0.47
CDK2 P24941 8/20 0.47
CCNA1 P78396 6/20 0.47
CDK4 P11802 2/20 0.47
CCND3 P30281 2/20 0.47
CDK6 Q00534 1/20 0.47
AURKA O14965 1/20 0.44
PLK1 P53350 1/20 0.44
EP300 Q09472 5/20 0.41
CREBBP Q92793 5/20 0.41
BRD4 O60885 2/20 0.41
TP53 P04637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPY1R P25929 1/20 0.38

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
SCHEMBL5227516 0.87 CDK2 (0.58) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL5228750 0.87 CDK2 (0.59) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL5229361 0.74 EP300 (0.45) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL5229161 0.74 CDK2 (0.54) CCNA2CDK2CCNA1CDK4CCND3
Hydrochloric Acid SCHEMBL6797723 0.74 CCNA2 (0.71) CCNA2CDK2CCNA1
SCHEMBL5226915 0.72 CDK2 (0.56) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL5228886 0.70 CCNA2 (0.38) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6800274 0.70 ALDH1A1 (0.40) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6786625 0.69 CCNA2 (0.41) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL4170831 0.68 BRD4 (0.41) CCNA2CDK2CCNA1BRD4TP53

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 8 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-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-11-24 EP claimed
WO-2003070236-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2003-08-28 WO 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
EP-1478357-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-11-24 EP disclosed
WO-2003070236-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2003-08-28 WO 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 CCNA2 1338/4885CDK2 178/4885CCNA1 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.