SCHEMBL6489729

SCHEMBL6489729

CCC(CCNc1ccccc1)NC(=O)c1ccc2cc(-c3cc[nH]n3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITK Q08881 15/20 0.49
INSR P06213 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
ROCK2 O75116 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL6489873 0.93 ITK (0.41) ITKINSRCCNE1CDK2TAS1R3
SCHEMBL5756210 0.83 ITK (0.54) ITKINSRCCNE1CDK2HDAC1
SCHEMBL6488334 0.82 HDAC11 (0.35) ITKTAS1R3TAS1R1
SCHEMBL5754385 0.79 ITK (0.53) ITKINSRCCNE1CDK2CASP3
SCHEMBL5754383 0.79 ROCK2 (0.52) ITKINSRCCNE1CDK2TAS1R3
SCHEMBL5816120 0.78 TAS1R3 (0.47) ITKINSRCCNE1CDK2TAS1R3
SCHEMBL5757315 0.76 ITK (0.53) ITKINSRCCNE1CDK2
SCHEMBL5753144 0.76 MAPK1 (0.51) ITKINSRCCNE1CDK2ROCK2
SCHEMBL5756552 0.76 ITK (0.51) ITKINSRCCNE1CDK2
SCHEMBL5755010 0.74 ITK (0.62) ITKINSRCCNE1CDK2

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.