SCHEMBL4090152

SCHEMBL4090152

CCN(CC)C(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.78
ERBB2 P04626 17/20 0.78
AURKA O14965 1/20 0.62

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
SCHEMBL3973368 0.88 ERBB2 (1.00) EGFRERBB2AURKA
SCHEMBL4255492 0.88 EGFR (0.80) EGFRERBB2AURKA
SCHEMBL1105428 0.87 EGFR (1.00) EGFRERBB2AURKA
Diethylamine SCHEMBL4255489 0.86 EGFR (0.89) EGFRERBB2AURKA
SCHEMBL1096310 0.86 ERBB2 (1.00) EGFRERBB2AURKA
SCHEMBL3974260 0.84 EGFR (1.00) EGFRERBB2AURKA
SCHEMBL13873522 0.82 EGFR (0.78) EGFRERBB2AURKA
SCHEMBL13884430 0.82 ERBB2 (0.81) EGFRERBB2AURKA
SCHEMBL13873526 0.81 EGFR (0.86) EGFRERBB2AURKA
SCHEMBL12851528 0.80 EGFR (0.74) EGFRERBB2AURKA

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