SCHEMBL5757665

SCHEMBL5757665

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 9/20 0.52
ALOX15 P16050 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
INSR P06213 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL5757315 0.93 ITK (0.53) ITKALOX15INSRCCNE1CDK2
SCHEMBL5753446 0.91 KDM4E (0.48) ITKALOX15SMN1; SMN2DRD2DRD3
SCHEMBL5752622 0.90 ITK (0.50) ITKINSRCCNE1CDK2KDM4E
SCHEMBL5757838 0.89 ITK (0.49) ITKINSRCCNE1CDK2KDM4E
SCHEMBL5756552 0.89 ITK (0.51) ITKALOX15INSRCCNE1CDK2
SCHEMBL5756764 0.89 HPGD (0.50) ITKSMN1; SMN2INSRCCNE1CDK2
SCHEMBL5757347 0.88 ITK (0.66) ITKSMN1; SMN2INSRCCNE1CDK2
SCHEMBL5756790 0.84 RIPK1 (0.46) ITKALOX15SMN1; SMN2KDM4EALDH1A1
SCHEMBL6478720 0.84 ITK (0.48) ITKINSRCCNE1CDK2
SCHEMBL6491253 0.83 ITK (0.50) ITKSMN1; SMN2INSRCCNE1CDK2

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 392/4885ALOX15 3875/4885SMN1; SMN2 4414/4885

“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.