SCHEMBL4036018

SCHEMBL4036018

FC(F)(F)Oc1ccc2[nH]c(-c3n[nH]c4ncc(-c5cccnc5)cc34)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.49
WNT1 P04628 3/20 0.48
CLK2 P49760 3/20 0.48
CLK3 P49761 3/20 0.48
DYRK1A Q13627 3/20 0.48
TGFBR1 P36897 1/20 0.48
CBFB Q13951 3/20 0.48
ERBB2 P04626 1/20 0.47
CDK1 P06493 1/20 0.47
RET P07949 1/20 0.46
RUNX1 Q01196 5/20 0.45
NPY5R Q15761 2/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4034047 0.86 WNT1 (0.49) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL13797841 0.86 RET (0.58) KITWNT1CLK2CLK3DYRK1A
SCHEMBL4034563 0.84 CDK1 (0.66) WNT1CLK2CLK3DYRK1AERBB2
SCHEMBL13810569 0.83 WNT1 (0.53) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL4038389 0.82 CLK2 (0.68) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL4035396 0.82 PDPK1 (0.45) CBFBERBB2CDK1RUNX1PDPK1
SCHEMBL4038471 0.81 RET (0.52) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL13797840 0.81 NEK1 (0.51) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL11903463 0.81 KDM4E (0.61) KITCBFBRUNX1NPY5RKDM4E
SCHEMBL13924319 0.81 WNT1 (0.49) WNT1CLK2CLK3DYRK1ATGFBR1

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 KIT 518/4885WNT1 2789/4885CLK2 303/4885

“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.