SCHEMBL5759271

SCHEMBL5759271

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.48
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 3/20 0.44
INSR P06213 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ROCK2 O75116 1/20 0.40

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
SCHEMBL5754329 0.91 KMT2A (0.45) ITKGAAKMT2AHSD17B10HPGD
SCHEMBL5756552 0.87 ITK (0.51) ITKINSRCCNE1CDK2
SCHEMBL5754383 0.86 ROCK2 (0.52) ITKGAAHSD17B10HPGDINSR
SCHEMBL5757315 0.85 ITK (0.53) ITKGAAHPGDINSRCCNE1
SCHEMBL6491253 0.84 ITK (0.50) ITKGAAKMT2AHSD17B10INSR
SCHEMBL5757347 0.84 ITK (0.66) ITKGAAKMT2AHSD17B10HPGD
SCHEMBL5755010 0.83 ITK (0.62) ITKINSRCCNE1CDK2
SCHEMBL5757665 0.83 ITK (0.52) ITKGAAKMT2AHSD17B10HPGD
SCHEMBL5752622 0.82 ITK (0.50) ITKKMT2AHSD17B10HPGDINSR
SCHEMBL5756912 0.81 ITK (0.66) ITKKMT2AINSRCCNE1CDK2

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 392/4885GAA 2485/4885KMT2A 1158/4885

“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.