SCHEMBL4039622

SCHEMBL4039622

CC(C)(C)NC(=O)c1cccc2[nH]c(-c3n[nH]c4ncc(-c5cncc6ccccc56)cc34)nc12

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.76
CDK1 P06493 12/20 0.60
KDR P35968 9/20 0.60
ERBB2 P04626 5/20 0.50
DYRK1A Q13627 2/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
FGFR1 P11362 1/20 0.42
CDK4 P11802 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
CCND3 P30281 1/20 0.42
WNT1 P04628 4/20 0.41
TGFBR1 P36897 3/20 0.40

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
SCHEMBL4034114 0.89 CDK1 (0.76) RETCDK1KDRERBB2DYRK1A
SCHEMBL4033912 0.88 CDK1 (0.72) RETCDK1KDRERBB2DYRK1A
SCHEMBL4037517 0.88 CDK1 (0.75) RETCDK1KDRERBB2DYRK1A
SCHEMBL4034123 0.87 CDK1 (0.59) RETCDK1KDRERBB2DYRK1A
SCHEMBL4042308 0.87 CDK1 (0.58) RETCDK1KDRERBB2DYRK1A
SCHEMBL4039375 0.86 RET (0.76) RETCDK1KDRERBB2DYRK1A
SCHEMBL13797815 0.85 CDK1 (0.57) RETCDK1KDRERBB2DYRK1A
SCHEMBL13797807 0.85 CDK1 (0.57) RETCDK1KDRERBB2DYRK1A
SCHEMBL4034067 0.85 CDK1 (0.56) RETCDK1KDRERBB2DYRK1A
SCHEMBL4034588 0.85 RET (0.72) RETCDK1KDRERBB2DYRK1A

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 8 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
US-7541367-B2 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-02 US disclosed
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
US-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-02-19 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 222/4885CDK1 307/4885KDR 641/4885

“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.