SCHEMBL4043779

SCHEMBL4043779

COCCCC(N)(Cc1cncc(-c2cnc3[nH]nc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)c3c2)c1)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.54
KDR P35968 4/20 0.48
ERBB2 P04626 2/20 0.48
CDK1 P06493 2/20 0.48
FLT3 P36888 1/20 0.40
WNT1 P04628 2/20 0.39
FGFR1 P11362 6/20 0.39
FLT1 P17948 1/20 0.39
PDGFRA P16234 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
MAP4K1 Q92918 1/20 0.39
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL4037196 0.86 RET (0.72) RETKDRERBB2CDK1FLT3
SCHEMBL4039916 0.82 RET (0.54) RETKDRERBB2CDK1FLT3
SCHEMBL4033966 0.82 RET (0.70) RETKDRERBB2CDK1WNT1
SCHEMBL4038126 0.82 RET (0.69) RETKDRERBB2CDK1WNT1
SCHEMBL4042919 0.81 RET (0.59) RETKDRERBB2CDK1WNT1
SCHEMBL4039901 0.81 RET (0.70) RETKDRERBB2CDK1WNT1
SCHEMBL4038916 0.80 RET (0.68) RETKDRERBB2CDK1WNT1
SCHEMBL4036833 0.80 RET (0.70) RETKDRERBB2CDK1WNT1
Dimethylamine SCHEMBL5823364 0.80 RET (0.59) RETKDRERBB2CDK1WNT1
Propylamine SCHEMBL5819044 0.80 RET (0.67) RETKDRERBB2CDK1FLT3

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 2 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

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 222/4885KDR 641/4885ERBB2 104/4885

“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.