SCHEMBL5757280

SCHEMBL5757280

CC(C)C(=O)Nc1ccc2cc(-c3cn[nH]c3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.47
CCNA2 P20248 4/20 0.47
CDK2 P24941 4/20 0.47
TTK P33981 4/20 0.47
FYN P06241 4/20 0.47
ROCK2 O75116 9/20 0.46
AURKB Q96GD4 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
ROCK1 Q13464 2/20 0.43
NR2E3 Q9Y5X4 1/20 0.42

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
SCHEMBL5754846 0.92 ROCK2 (0.47) AURKACCNA2CDK2TTKFYN
SCHEMBL5755889 0.84 PDE10A (0.50) AURKACCNA2CDK2TTKFYN
SCHEMBL6480489 0.82 ITK (0.46) AURKACCNA2CDK2TTKFYN
SCHEMBL2246941 0.82 CASP3 (0.55) NR2E3
SCHEMBL6478358 0.81 NTRK1 (0.57)
SCHEMBL6479954 0.78 ROCK2 (0.51) AURKAFYNROCK2ROCK1
SCHEMBL5756127 0.76 TNIK (0.50) AURKACCNA2CDK2TTKFYN
SCHEMBL5754049 0.76 MDM4 (0.41) AURKACCNA2CDK2TTKFYN
SCHEMBL6481076 0.75 PDE10A (0.51) AURKACCNA2CDK2TTKFYN
SCHEMBL5815787 0.74 KCNQ2 (0.49) AURKACCNA2CDK2TTKFYN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648884-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2006-04-26 EP disclosed
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 US disclosed
WO-2005005414-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 AURKA 136/4885CCNA2 1043/4885CDK2 95/4885

“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.