SCHEMBL6480489

SCHEMBL6480489

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 6/20 0.46
FYN P06241 3/20 0.46
AURKA O14965 4/20 0.46
CCNA2 P20248 4/20 0.46
CDK2 P24941 4/20 0.46
TTK P33981 4/20 0.46
MAPT P10636 1/20 0.45
ROCK2 O75116 1/20 0.45
AURKB Q96GD4 1/20 0.44
TP53 P04637 1/20 0.44
PDE10A Q9Y233 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 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
SCHEMBL5815787 0.92 KCNQ2 (0.49) ITKFYNAURKACCNA2CDK2
SCHEMBL5755889 0.91 PDE10A (0.50) ITKFYNAURKACCNA2CDK2
SCHEMBL6481076 0.83 PDE10A (0.51) ITKFYNAURKACCNA2CDK2
SCHEMBL6479954 0.83 ROCK2 (0.51) FYNAURKAROCK2ALDH1A1KDM4E
SCHEMBL5757280 0.82 AURKA (0.47) FYNAURKACCNA2CDK2TTK
SCHEMBL6478358 0.79 NTRK1 (0.57) ITKMAPTALDH1A1SMN1; SMN2
SCHEMBL5820546 0.78 PARP14 (0.47) ITKFYNAURKACCNA2CDK2
SCHEMBL5755746 0.77 NAMPT (0.51) FYNAURKACCNA2CDK2TTK
SCHEMBL5814937 0.75 ROCK2 (0.52) AURKAROCK2ALDH1A1KDM4E
SCHEMBL6762504 0.74 P2RX7 (0.62) MAPTROCK2ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ITK 392/4885FYN 223/4885AURKA 136/4885

“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.