SCHEMBL5757347

SCHEMBL5757347

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

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 12/20 0.66
HPGD P15428 3/20 0.46
TRPA1 O75762 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
INSR P06213 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 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
SCHEMBL5752904 0.91 ITK (0.55) ITKHPGDTRPA1KDM4EALDH1A1
SCHEMBL5757315 0.90 ITK (0.53) ITKHPGDKDM4EALDH1A1GAA
SCHEMBL5757665 0.88 ITK (0.52) ITKHPGDKDM4EALDH1A1GLA
SCHEMBL5756552 0.87 ITK (0.51) ITKINSRCCNE1CDK2
SCHEMBL6491253 0.87 ITK (0.50) ITKKDM4EALDH1A1GAAHSD17B10
SCHEMBL5752622 0.87 ITK (0.50) ITKHPGDKDM4EALDH1A1HSD17B10
SCHEMBL5757838 0.86 ITK (0.49) ITKHPGDKDM4EALDH1A1HSD17B10
SCHEMBL5756764 0.85 HPGD (0.50) ITKHPGDKDM4EALDH1A1HSD17B10
SCHEMBL6478720 0.85 ITK (0.48) ITKINSRCCNE1CDK2
SCHEMBL5759271 0.84 ITK (0.48) ITKHPGDKDM4EGAAHSD17B10

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 392/4885HPGD 1550/4885TRPA1 2509/4885

“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.