SCHEMBL4043577

SCHEMBL4043577

c1ccc2c(-c3cnc4[nH]nc(-c5nc6cc(N7CCOCC7)ccc6[nH]5)c4c3)cncc2c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.68
KDR P35968 3/20 0.68
RET P07949 2/20 0.68
ERBB2 P04626 2/20 0.56
FGFR1 P11362 3/20 0.54
FLT1 P17948 2/20 0.54
PDPK1 O15530 3/20 0.45
LRRK2 Q5S007 1/20 0.44
CLK2 P49760 2/20 0.43
CLK3 P49761 2/20 0.43
DYRK1A Q13627 2/20 0.43
FLT3 P36888 6/20 0.42
ITK Q08881 1/20 0.42
CBFB Q13951 1/20 0.42

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
SCHEMBL4204892 0.95 KDR (0.62) CDK1KDRRETERBB2FGFR1
SCHEMBL4035837 0.90 KDR (0.67) CDK1KDRRETERBB2FGFR1
SCHEMBL4033477 0.82 CDK1 (0.68) CDK1KDRRETERBB2FGFR1
SCHEMBL4035660 0.79 CDK1 (0.53) CDK1KDRRETERBB2FGFR1
SCHEMBL5514228 0.79 KDR (0.63) CDK1KDRRETERBB2FGFR1
SCHEMBL3533364 0.78 FGFR1 (0.85) FGFR1FLT1PDPK1LRRK2FLT3
SCHEMBL4039574 0.77 CDK1 (0.54) CDK1KDRRETERBB2FGFR1
SCHEMBL4042953 0.77 RET (0.62) CDK1KDRRETERBB2FGFR1
SCHEMBL5952813 0.75 FGFR1 (0.70) CDK1KDRRETERBB2FGFR1
SCHEMBL4034000 0.75 CDK1 (0.55) CDK1KDRRETERBB2FGFR1

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 10 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 claimed
US-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-02-19 US claimed
WO-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 WO claimed
US-7541367-B2 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-02 US disclosed
US-7541367-B2 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-02 US disclosed
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
US-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-02-19 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 CDK1 307/4885KDR 641/4885RET 222/4885

“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.