SCHEMBL6488486

SCHEMBL6488486

O=C(Nc1ccccc1CO)c1ccc2cc(-c3cc[nH]n3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITK Q08881 15/20 0.48
NHERF1 O14745 2/20 0.43
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
INSR P06213 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
SLC16A3 O15427 1/20 0.38

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
SCHEMBL6489406 0.92 NHERF1 (0.50) ITKNHERF1TP53MAPTSLC16A3
SCHEMBL5754385 0.83 ITK (0.53) ITKINSRCCNE1CDK2CASP3
SCHEMBL5756912 0.80 ITK (0.66) ITKINSRCCNE1CDK2
SCHEMBL6490316 0.80 NHERF1 (0.47) NHERF1TP53MAPTSLC16A3
SCHEMBL5755010 0.78 ITK (0.62) ITKINSRCCNE1CDK2
SCHEMBL5756552 0.77 ITK (0.51) ITKINSRCCNE1CDK2
SCHEMBL5752622 0.77 ITK (0.50) ITKMAPTINSRCCNE1CDK2
SCHEMBL6489347 0.76 ITK (0.44) ITKTP53MAPT
SCHEMBL5754383 0.76 ROCK2 (0.52) ITKINSRCCNE1CDK2CASP3
SCHEMBL5757838 0.76 ITK (0.49) ITKMAPTINSRCCNE1CDK2

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 392/4885NHERF1 3673/4885TP53 317/4885

“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.