SCHEMBL4033776

SCHEMBL4033776

CNCc1cncc(-c2cnc3[nH]nc(-c4nc5ccc(OC)cc5[nH]4)c3c2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.74
CDK1 P06493 6/20 0.62
ERBB2 P04626 6/20 0.62
KDR P35968 5/20 0.49
FGFR1 P11362 1/20 0.47
AURKA O14965 1/20 0.46
FLT3 P36888 1/20 0.43
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CHEK1 O14757 1/20 0.42
SLC2A1 P11166 1/20 0.42
PDPK1 O15530 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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 0.93 RET (0.64) RETCDK1ERBB2KDRFGFR1
SCHEMBL4039682 0.86 RET (0.55) RETCDK1ERBB2KDR
SCHEMBL4038630 0.84 RET (0.65) RETCDK1ERBB2KDRAURKA
SCHEMBL4038471 0.84 RET (0.52) RETCDK1ERBB2KDRFGFR1
SCHEMBL4033805 0.83 RET (0.53) RETCDK1ERBB2KDRFGFR1
Methylethylamine SCHEMBL5821868 0.83 MAP3K8 (0.55) RETCDK1ERBB2KDR
SCHEMBL4034563 0.83 CDK1 (0.66) RETCDK1ERBB2KDR
SCHEMBL4039564 0.83 RET (0.66) RETCDK1ERBB2KDRAURKA
SCHEMBL4035297 0.82 RET (0.68) RETCDK1ERBB2KDRAURKA
Ethylamine SCHEMBL5823397 0.82 RET (0.62) RETCDK1ERBB2KDRAURKA

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 222/4885CDK1 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.