SCHEMBL1928871

SCHEMBL1928871

O=C(O)Nc1cccc2[nH]c(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 20/20 0.80
▸ CYP3A4 P08684 15/20 0.80
▸ CYP2C19 P33261 10/20 0.80
▸ CYP1A2 P05177 9/20 0.80
▸ CYP2C9 P11712 9/20 0.80
▸ EGFR P00533 2/20 0.63
▸ INSR P06213 2/20 0.63
▸ LCK P06239 2/20 0.63
▸ KDR P35968 2/20 0.63
▸ PTK2 Q05397 2/20 0.63
▸ ERBB2 P04626 1/20 0.63
▸ MET P08581 1/20 0.63
▸ MAP2K1 Q02750 1/20 0.63
▸ PLK4 O00444 1/20 0.63
▸ CHEK1 O14757 1/20 0.63
▸ AURKA O14965 1/20 0.63
▸ PDPK1 O15530 1/20 0.63
▸ DAPK3 O43293 1/20 0.63
▸ DYRK3 O43781 1/20 0.63
▸ JAK2 O60674 1/20 0.63

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
SCHEMBL1928863 1.00 IGF1R (0.80) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL1928874 1.00 IGF1R (0.80) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL1926362 0.90 IGF1R (0.73) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL1926365 0.90 IGF1R (0.73) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL1926366 0.90 IGF1R (0.73) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5147090 0.89 IGF1R (1.00) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5072442 0.85 IGF1R (0.87) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5988484 0.84 IGF1R (0.74) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL6093942 0.83 IGF1R (0.77) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5140708 0.83 IGF1R (0.79) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9

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-7956190-B2 Benzimidazole amido derivatives as kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-06-07 — — US claimed
US-20100168181-A1 BENZIMIDAZOLE AMIDO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-07-01 — — US claimed
EP-2170859-A1 BENZIMIDAZOLE AMIDO DERIVATIVES AS KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-04-07 — — EP claimed
WO-2009000489-A1 BENZIMIDAZOLE AMIDO DERIVATIVES AS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-12-31 — — WO claimed
US-7956190-B2 Benzimidazole amido derivatives as kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-06-07 — — US disclosed
US-20100168181-A1 BENZIMIDAZOLE AMIDO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-07-01 — — US disclosed
EP-2170859-A1 BENZIMIDAZOLE AMIDO DERIVATIVES AS KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-04-07 — — EP disclosed
WO-2009000489-A1 BENZIMIDAZOLE AMIDO DERIVATIVES AS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-12-31 — — 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-20100168181-A1 BENZIMIDAZOLE AMIDO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A5, TMBIM6, FANCI IGF1R 1443/4885CYP3A4 13/4885CYP2C19 5/4885

“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.

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