SCHEMBL5755889

SCHEMBL5755889

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.50
AURKA O14965 6/20 0.47
CCNA2 P20248 6/20 0.47
CDK2 P24941 6/20 0.47
TTK P33981 6/20 0.47
FYN P06241 4/20 0.47
ITK Q08881 5/20 0.45
AURKB Q96GD4 2/20 0.45
KCNQ2 O43526 1/20 0.43
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 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
SCHEMBL6481076 0.92 PDE10A (0.51) PDE10AAURKACCNA2CDK2TTK
SCHEMBL6480489 0.91 ITK (0.46) PDE10AAURKACCNA2CDK2TTK
SCHEMBL6479954 0.84 ROCK2 (0.51) AURKAFYNROCK2ROCK1KDM4E
SCHEMBL5757280 0.84 AURKA (0.47) AURKACCNA2CDK2TTKFYN
SCHEMBL5815787 0.83 KCNQ2 (0.49) PDE10AAURKACCNA2CDK2TTK
SCHEMBL6478358 0.81 NTRK1 (0.57) ITKALDH1A1
SCHEMBL5755746 0.76 NAMPT (0.51) AURKACCNA2CDK2TTKFYN
SCHEMBL5814937 0.76 ROCK2 (0.52) AURKAROCK2ROCK1KDM4EALDH1A1
SCHEMBL5756127 0.76 TNIK (0.50) AURKACCNA2CDK2TTKFYN
SCHEMBL6479734 0.76 PDE10A (0.47) PDE10AAURKACCNA2CDK2TTK

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 PDE10A 885/4885AURKA 136/4885CCNA2 1043/4885

“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.