SCHEMBL4084764

SCHEMBL4084764

NNC(=O)c1cnc(N)nc1Nc1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 14/20 0.66
▸ EGFR P00533 14/20 0.66
▸ AURKA O14965 1/20 0.51
▸ GRM4 Q14833 1/20 0.48
▸ ACP1 P24666 1/20 0.46
▸ PTPN12 Q05209 1/20 0.46
▸ PTPN13 Q12923 1/20 0.46
▸ SSU72 Q9NP77 1/20 0.46
▸ PTK6 Q13882 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL3979493 0.92 EGFR (0.67) ERBB2EGFRAURKAGRM4ACP1
SCHEMBL3977278 0.92 ERBB2 (0.64) ERBB2EGFRAURKAGRM4ACP1
SCHEMBL1096310 0.79 ERBB2 (1.00) ERBB2EGFRAURKAGRM4
SCHEMBL3973068 0.78 ERBB2 (0.62) ERBB2EGFRAURKAGRM4ACP1
SCHEMBL3973368 0.75 ERBB2 (1.00) ERBB2EGFRAURKAGRM4
SCHEMBL4084766 0.74 ERBB2 (0.61) ERBB2EGFRAURKAGRM4
SCHEMBL3974260 0.74 EGFR (1.00) ERBB2EGFRAURKA
SCHEMBL1105428 0.72 EGFR (1.00) ERBB2EGFRAURKA
SCHEMBL11740327 0.72 HDAC6 (0.71) ERBB2EGFRHDAC6
SCHEMBL15304787 0.72 ACP1 (0.55) ERBB2EGFRGRM4ACP1PTPN12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009055299-A1 SUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE AND 5-CARBOXYLIC ESTER KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 — — WO claimed
US-20090111810-A1 SUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE AND 5-CARBOXYLIC ESTER KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 — — US claimed
WO-2009055299-A1 SUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE AND 5-CARBOXYLIC ESTER KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 — — 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-20090111810-A1 SUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE AND 5-CARBOXYLIC ESTER KINASE INHIBITORS MAP3K5, FLT3, MAP3K19 ERBB2 67/4885EGFR 309/4885AURKA 184/4885

“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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