SCHEMBL4039588

SCHEMBL4039588

COc1ccc2[nH]c(-c3n[nH]c4ncc(-c5cncc(CCCCN)c5)cc34)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.48
CDK1 P06493 6/20 0.47
ERBB2 P04626 4/20 0.47
FLT3 P36888 4/20 0.44
WNT1 P04628 2/20 0.41
FGFR1 P11362 1/20 0.39
KDR P35968 4/20 0.39
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SYK P43405 1/20 0.36
MAP3K8 P41279 1/20 0.36

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
SCHEMBL13797844 0.86 RET (0.64) RETCDK1ERBB2WNT1FGFR1
Ethylamine SCHEMBL5823397 0.86 RET (0.62) RETCDK1ERBB2WNT1KDR
SCHEMBL5823407 0.85 RET (0.46) RETCDK1ERBB2FLT3WNT1
SCHEMBL4038630 0.85 RET (0.65) RETCDK1ERBB2WNT1KDR
SCHEMBL4035297 0.84 RET (0.68) RETCDK1ERBB2WNT1KDR
SCHEMBL4033805 0.84 RET (0.53) RETCDK1ERBB2WNT1FGFR1
Isopropylamine SCHEMBL5823492 0.84 RET (0.51) RETCDK1ERBB2FLT3WNT1
SCHEMBL4039564 0.83 RET (0.66) RETCDK1ERBB2WNT1KDR
SCHEMBL4039916 0.83 RET (0.54) RETCDK1ERBB2FLT3WNT1
SCHEMBL5823388 0.82 RET (0.65) RETCDK1ERBB2WNT1KDR

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 4 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
US-7541367-B2 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-02 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 222/4885CDK1 307/4885ERBB2 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.