SCHEMBL5757315

SCHEMBL5757315

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITK Q08881 13/20 0.53
RIPK1 Q13546 1/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 4/20 0.45
GAA P10253 4/20 0.45
INSR P06213 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5757665 0.93 ITK (0.52) ITKALOX15KDM4EGAAINSR
SCHEMBL5756790 0.91 RIPK1 (0.46) ITKRIPK1ALOX15KDM4EGAA
SCHEMBL5756552 0.91 ITK (0.51) ITKRIPK1ALOX15INSRCCNE1
SCHEMBL5757347 0.90 ITK (0.66) ITKKDM4EGAAINSRCCNE1
SCHEMBL5752622 0.88 ITK (0.50) ITKKDM4EINSRCCNE1CDK2
SCHEMBL5757838 0.87 ITK (0.49) ITKKDM4EINSRCCNE1CDK2
SCHEMBL5756764 0.86 HPGD (0.50) ITKKDM4EINSRCCNE1CDK2
SCHEMBL6478720 0.86 ITK (0.48) ITKINSRCCNE1CDK2
SCHEMBL6491253 0.85 ITK (0.50) ITKKDM4EGAAINSRCCNE1
SCHEMBL5759271 0.85 ITK (0.48) ITKKDM4EGAAINSRCCNE1

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 392/4885RIPK1 404/4885ALOX15 3875/4885

“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.