SCHEMBL6491253

SCHEMBL6491253

COC(=O)CNC(=O)c1ccc2cc(-c3cc[nH]n3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITK Q08881 16/20 0.50
INSR P06213 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6486561 0.91 ITK (0.41) ITKINSRCCNE1CDK2KDM4E
SCHEMBL5756552 0.87 ITK (0.51) ITKINSRCCNE1CDK2
SCHEMBL5757347 0.87 ITK (0.66) ITKINSRCCNE1CDK2KDM4E
SCHEMBL5757315 0.85 ITK (0.53) ITKINSRCCNE1CDK2KDM4E
SCHEMBL5759271 0.84 ITK (0.48) ITKINSRCCNE1CDK2KDM4E
SCHEMBL5755010 0.83 ITK (0.62) ITKINSRCCNE1CDK2
SCHEMBL5757665 0.83 ITK (0.52) ITKINSRCCNE1CDK2KDM4E
SCHEMBL5752622 0.82 ITK (0.50) ITKINSRCCNE1CDK2KDM4E
SCHEMBL5754383 0.81 ROCK2 (0.52) ITKINSRCCNE1CDK2KDM4E
SCHEMBL5757838 0.81 ITK (0.49) ITKINSRCCNE1CDK2KDM4E

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 392/4885INSR 579/4885CCNE1 790/4885

“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.