SCHEMBL5755010

SCHEMBL5755010

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

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITK Q08881 8/20 0.62
RET P07949 12/20 0.48
KDR P35968 8/20 0.48
INSR P06213 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43

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
SCHEMBL5759216 0.90 ITK (0.51) ITKRETKDR
SCHEMBL5754383 0.88 ROCK2 (0.52) ITKRETKDRINSRCCNE1
SCHEMBL5756552 0.86 ITK (0.51) ITKRETINSRCCNE1CDK2
SCHEMBL5757315 0.84 ITK (0.53) ITKINSRCCNE1CDK2
SCHEMBL5759554 0.84 CASP3 (0.58) ITKINSRCCNE1CDK2
SCHEMBL5757347 0.83 ITK (0.66) ITKINSRCCNE1CDK2
SCHEMBL5759271 0.83 ITK (0.48) ITKINSRCCNE1CDK2
SCHEMBL6491253 0.83 ITK (0.50) ITKINSRCCNE1CDK2
SCHEMBL5754385 0.83 ITK (0.53) ITKINSRCCNE1CDK2
SCHEMBL5754638 0.83 RET (0.45) ITKRETKDR

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 ITK 392/4885RET 462/4885KDR 1419/4885

“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.