SCHEMBL4036114

SCHEMBL4036114

Fc1ccc2nc(-c3n[nH]c4ncc(-c5cccnc5)cc34)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.68
CYP11B1 P15538 1/20 0.65
CLK2 P49760 7/20 0.54
CLK3 P49761 7/20 0.54
DYRK1A Q13627 7/20 0.54
WNT1 P04628 4/20 0.54
TGFBR1 P36897 2/20 0.54
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
ERBB2 P04626 1/20 0.47
CDK1 P06493 1/20 0.47
KDR P35968 1/20 0.47
DGAT1 O75907 1/20 0.46
KCNH2 Q12809 1/20 0.46
FGFR1 P11362 1/20 0.46
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
CBFB Q13951 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL13797841 0.93 RET (0.58) RETCYP11B1CLK2CLK3DYRK1A
SCHEMBL4038389 0.89 CLK2 (0.68) RETCYP11B1CLK2CLK3DYRK1A
SCHEMBL12369823 0.89 CLK2 (0.58) RETCYP11B1CLK2CLK3DYRK1A
SCHEMBL4038471 0.86 RET (0.52) RETCYP11B1CLK2CLK3DYRK1A
SCHEMBL17557432 0.84 WNT1 (0.54) RETCYP11B1CLK2CLK3DYRK1A
SCHEMBL17568881 0.84 DYRK1A (0.60) RETCLK2CLK3DYRK1AWNT1
SCHEMBL15370910 0.83 WNT1 (0.63) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL15370455 0.83 CLK2 (0.68) CLK2CLK3DYRK1A
SCHEMBL13810569 0.83 WNT1 (0.53) RETCYP11B1CLK2CLK3DYRK1A
SCHEMBL4033970 0.83 NEK1 (0.52) RETCYP11B1CLK2CLK3DYRK1A

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 6 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-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 RET 222/4885CYP11B1 1180/4885CLK2 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.