SCHEMBL4033970

SCHEMBL4033970

COC(=O)c1ccc2nc(-c3n[nH]c4ncc(-c5cccnc5)cc34)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 1/20 0.52
WNT1 P04628 4/20 0.50
CLK2 P49760 3/20 0.50
CLK3 P49761 3/20 0.50
DYRK1A Q13627 3/20 0.50
TGFBR1 P36897 2/20 0.50
FHIT P49789 1/20 0.49
CYP11B1 P15538 2/20 0.49
CYP19A1 P11511 1/20 0.49
CYP11B2 P19099 1/20 0.49
RET P07949 2/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ATR Q13535 1/20 0.47
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL13797840 0.94 NEK1 (0.51) NEK1WNT1CLK2CLK3DYRK1A
SCHEMBL4038471 0.85 RET (0.52) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL5031669 0.83 ALDH1A1 (0.65) FHITCYP11B1CYP19A1CYP11B2ALDH1A1
SCHEMBL5821106 0.83 PKN1 (0.54) NEK1WNT1CLK2CLK3DYRK1A
SCHEMBL4036114 0.83 RET (0.68) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL4038389 0.82 CLK2 (0.68) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL12369823 0.82 CLK2 (0.58) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL13810569 0.79 WNT1 (0.53) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL17557432 0.78 WNT1 (0.54) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL13797841 0.78 RET (0.58) 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 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 NEK1 299/4885WNT1 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.