SCHEMBL6487371

SCHEMBL6487371

O=C(NCCCc1cc(O)[nH]n1)c1ccc2cc(-c3cc[nH]n3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 17/20 0.47
INSR P06213 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL6479843 0.93 ITK (0.39) ITKHDAC1HDAC2HDAC3HDAC4
SCHEMBL5752622 0.84 ITK (0.50) ITKINSRCCNE1CDK2HDAC1
SCHEMBL5757838 0.83 ITK (0.49) ITKINSRCCNE1CDK2HDAC1
SCHEMBL5757665 0.83 ITK (0.52) ITKINSRCCNE1CDK2
SCHEMBL5757315 0.81 ITK (0.53) ITKINSRCCNE1CDK2
SCHEMBL5756764 0.81 HPGD (0.50) ITKINSRCCNE1CDK2
SCHEMBL6478732 0.80 HDAC1 (0.36) ITKHDAC1HDAC2HDAC3HDAC4
SCHEMBL5757347 0.80 ITK (0.66) ITKINSRCCNE1CDK2
SCHEMBL5756552 0.78 ITK (0.51) ITKINSRCCNE1CDK2
SCHEMBL6478720 0.78 ITK (0.48) ITKINSRCCNE1CDK2HDAC1

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 392/4885INSR 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.