SCHEMBL5227572

SCHEMBL5227572

NC(=O)c1nn(Cc2cccc(O)c2)c2c1ccc1[nH]ncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.39
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39
GRK2 P25098 2/20 0.38
AURKA O14965 5/20 0.38
CCNE1 P24864 4/20 0.38
CDK3 Q00526 4/20 0.38
ROCK2 O75116 3/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CG P48736 2/20 0.36
TEC P42680 2/20 0.35
BMX P51813 2/20 0.35
BTK Q06187 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
WEE1 P30291 1/20 0.35

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
SCHEMBL5230170 0.88 CDK2 (0.42) CDK2CCNA2CCNA1AURKAROCK2
SCHEMBL5228059 0.79 CCNA2 (0.45) CDK2CCNA2CCNA1GRK2PIK3CD
Hydrochloric Acid SCHEMBL5228989 0.78 CCNA2 (0.44) CDK2CCNA2CCNA1GRK2PIK3CD
SCHEMBL5229094 0.78 CCNA2 (0.46) CDK2CCNA2CCNA1GRK2PIK3CD
SCHEMBL5227129 0.77 CCNA2 (0.48) CDK2CCNA2CCNA1AURKA
SCHEMBL5224979 0.73 CCNA2 (0.48) CDK2CCNA2CCNA1GRK2TEC
SCHEMBL5229177 0.72 CCNA2 (0.50) CDK2CCNA2CCNA1ROCK2WEE1
SCHEMBL5227704 0.72 CDK2 (0.53) CDK2CCNA2CCNA1CCNE1ROCK2
SCHEMBL5226943 0.71 CDK2 (0.54) CDK2CCNA2CCNA1CCNE1CDK3
SCHEMBL5230389 0.71 CCNA2 (0.54) CDK2CCNA2CCNA1AURKAROCK2

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.