SCHEMBL4035396

SCHEMBL4035396

FC(F)(F)Oc1ccc2[nH]c(-c3n[nH]c4ncc(Br)cc34)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.45
RUNX1 Q01196 6/20 0.44
CBFB Q13951 3/20 0.43
FGFR1 P11362 3/20 0.41
FLT3 P36888 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TRPA1 O75762 4/20 0.40
TRPV1 Q8NER1 2/20 0.38
ERBB2 P04626 1/20 0.38
CDK1 P06493 1/20 0.38
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
FLT1 P17948 1/20 0.35

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
SCHEMBL4036018 0.82 KIT (0.49) PDPK1RUNX1CBFBFGFR1ERBB2
SCHEMBL4039633 0.80 FGFR1 (0.41) PDPK1FGFR1FLT3CLK4CDK1
SCHEMBL4043185 0.79 PDPK1 (0.67) PDPK1FGFR1FLT3CLK4CDK1
SCHEMBL4034563 0.78 CDK1 (0.66) RUNX1TRPA1ERBB2CDK1
SCHEMBL4037154 0.78 PDPK1 (0.51) PDPK1RUNX1CBFBFGFR1FLT3
SCHEMBL4037113 0.73 RET (0.62) PDPK1FGFR1FLT3ERBB2CDK1
SCHEMBL5951426 0.71 CBFB (0.47) RUNX1CBFBTRPA1TRPV1SCN5A
SCHEMBL7066940 0.70 RUNX1 (0.43) RUNX1CBFBTRPA1TRPV1SCN5A
SCHEMBL179102 0.70 CBFB (0.82) RUNX1CBFBTRPA1TRPV1
SCHEMBL17525964 0.70 RUNX1 (0.83) RUNX1CBFBTRPV1

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
US-7541367-B2 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-02 US disclosed
US-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-02-19 US disclosed
WO-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 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-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders PRKDC, PRKACA, ABL1 PDPK1 90/4885RUNX1 1458/4885CBFB 2379/4885

“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.