SCHEMBL5758728

SCHEMBL5758728

O=C(NCc1ccncc1)c1ccc2cc(-c3cc[nH]n3)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITK Q08881 11/20 0.54
INSR P06213 2/20 0.49
CCNE1 P24864 2/20 0.49
CDK2 P24941 2/20 0.49
PARP1 P09874 1/20 0.47
MAPK3 P27361 1/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 1/20 0.44
MMP13 P45452 1/20 0.44
MAPK14 Q16539 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6478078 0.92 NAMPT (0.48) ITKPARP1MAPK3MAPK1GAA
SCHEMBL5756912 0.90 ITK (0.66) ITKINSRCCNE1CDK2
SCHEMBL5756620 0.88 ITK (0.53) ITKINSRCCNE1CDK2LMNA
SCHEMBL5756552 0.83 ITK (0.51) ITKINSRCCNE1CDK2
SCHEMBL5756863 0.82 ITK (0.58) ITKINSRCCNE1CDK2GAA
SCHEMBL5755623 0.82 ITK (0.55) ITKINSRCCNE1CDK2MAPK3
SCHEMBL5757315 0.81 ITK (0.53) ITKINSRCCNE1CDK2GAA
SCHEMBL6491253 0.81 ITK (0.50) ITKINSRCCNE1CDK2MAPK1
SCHEMBL5752622 0.81 ITK (0.50) ITKINSRCCNE1CDK2
SCHEMBL5759271 0.81 ITK (0.48) ITKINSRCCNE1CDK2GAA

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 392/4885INSR 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.