SCHEMBL5756912

SCHEMBL5756912

O=C(NCc1ccccc1)c1ccc2cc(-c3cc[nH]n3)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.66
INSR P06213 2/20 0.56
CCNE1 P24864 2/20 0.56
CDK2 P24941 2/20 0.56
IMPDH2 P12268 1/20 0.50
PLAU P00749 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.47
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL5755623 0.91 ITK (0.55) ITKINSRCCNE1CDK2IMPDH2
SCHEMBL5758728 0.90 ITK (0.54) ITKINSRCCNE1CDK2
SCHEMBL5756620 0.89 ITK (0.53) ITKINSRCCNE1CDK2HDAC1
SCHEMBL5756863 0.85 ITK (0.58) ITKINSRCCNE1CDK2MEN1
SCHEMBL5756210 0.84 ITK (0.54) ITKINSRCCNE1CDK2HDAC1
SCHEMBL5756552 0.84 ITK (0.51) ITKINSRCCNE1CDK2
SCHEMBL5757284 0.83 HPGD (0.55) ITKINSRCCNE1CDK2MEN1
SCHEMBL5754385 0.83 ITK (0.53) ITKINSRCCNE1CDK2PLAU
SCHEMBL5757315 0.82 ITK (0.53) ITKINSRCCNE1CDK2
SCHEMBL6478078 0.82 NAMPT (0.48) ITK

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.