SCHEMBL5754846

SCHEMBL5754846

CC(C)C(=O)Nc1ccc2[nH]c(-c3cn[nH]c3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.47
FYN P06241 3/20 0.46
AAK1 Q2M2I8 1/20 0.46
AURKA O14965 3/20 0.46
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
TTK P33981 3/20 0.46
KCNQ2 O43526 1/20 0.46
AURKB Q96GD4 1/20 0.44
ROCK1 Q13464 1/20 0.44
MMP13 P45452 1/20 0.42
NAMPT P43490 1/20 0.42
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL5757280 0.92 AURKA (0.47) ROCK2FYNAAK1AURKACCNA2
SCHEMBL5756127 0.84 TNIK (0.50) ROCK2FYNAURKACCNA2CDK2
SCHEMBL6481076 0.83 PDE10A (0.51) ROCK2FYNAURKACCNA2CDK2
SCHEMBL5815787 0.81 KCNQ2 (0.49) ROCK2FYNAURKACCNA2CDK2
SCHEMBL5760150 0.81 ROCK2 (0.64) ROCK2FYNROCK1NAMPT
SCHEMBL5820065 0.80 NPC1 (0.59) ROCK2MMP13NAMPT
SCHEMBL5755746 0.80 NAMPT (0.51) ROCK2FYNAURKACCNA2CDK2
SCHEMBL5814937 0.77 ROCK2 (0.52) ROCK2AURKAROCK1NAMPTCLK2
SCHEMBL5754049 0.77 MDM4 (0.41) ROCK2FYNAURKACCNA2CDK2
SCHEMBL5816604 0.77 RAB9A (0.56)

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 ROCK2 600/4885FYN 223/4885AAK1 152/4885

“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.