SCHEMBL5754385

SCHEMBL5754385

O=C(Nc1ccccc1)c1ccc2cc(-c3cc[nH]n3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 11/20 0.53
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
PLAU P00749 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
PRSS1 P07477 1/20 0.44
CHEK2 O96017 1/20 0.43
INSR P06213 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5757708 0.91 JAK2 (0.49) ITKJAK2JAK1PLAUF2
SCHEMBL5753664 0.87 RAB9A (0.54) ITKPLAUCASP3SENP7PLG
SCHEMBL5756210 0.85 ITK (0.54) ITKCASP3SENP8SENP7SENP6
SCHEMBL5756912 0.83 ITK (0.66) ITKPLAUINSRCCNE1CDK2
SCHEMBL5755010 0.83 ITK (0.62) ITKINSRCCNE1CDK2
SCHEMBL6488486 0.83 ITK (0.48) ITKCASP3SENP8SENP7SENP6
SCHEMBL5759554 0.82 CASP3 (0.58) ITKCASP3SENP8SENP7SENP6
SCHEMBL5754383 0.81 ROCK2 (0.52) ITKCASP3SENP8SENP7SENP6
SCHEMBL5756552 0.80 ITK (0.51) ITKINSRCCNE1CDK2
SCHEMBL5754638 0.79 RET (0.45) ITKCASP3SENP8SENP7SENP6

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 392/4885JAK2 120/4885JAK1 82/4885

“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.