SCHEMBL5230170

SCHEMBL5230170

NC(=O)c1nn(Cc2ccccc2)c2c1ccc1[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.42
CCNA2 P20248 2/20 0.42
CCNA1 P78396 2/20 0.42
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 1/20 0.39
ITK Q08881 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38
HPGD P15428 1/20 0.38
CDC7 O00311 2/20 0.37
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
PLK4 O00444 1/20 0.37
AURKA O14965 1/20 0.37
DYRK3 O43781 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
SCHEMBL5227572 0.88 CDK2 (0.39) CDK2CCNA2CCNA1ITKROCK2
SCHEMBL5228059 0.84 CCNA2 (0.45) CDK2CCNA2CCNA1ITKPIK3CD
Hydrochloric Acid SCHEMBL5228989 0.83 CCNA2 (0.44) CDK2CCNA2CCNA1ITKPIK3CD
SCHEMBL5229094 0.83 CCNA2 (0.46) CDK2CCNA2CCNA1ITKPIK3CD
SCHEMBL5229177 0.81 CCNA2 (0.50) CDK2CCNA2CCNA1KDM4EHSD17B10
SCHEMBL5227129 0.81 CCNA2 (0.48) CDK2CCNA2CCNA1AURKA
SCHEMBL5224979 0.77 CCNA2 (0.48) CDK2CCNA2CCNA1ITK
SCHEMBL5230469 0.75 CDK2 (0.52) CDK2CCNA2CCNA1ROCK2CDK1
SCHEMBL5225603 0.74 CCNA2 (0.53) CDK2CCNA2CCNA1CYP1A2HSD17B10
SCHEMBL5264912 0.74 CCNA2 (0.45) CDK2CCNA2CCNA1ITK

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.