SCHEMBL19320682

SCHEMBL19320682

C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3c[nH]c4ccccc34)n2)c(C)cc1N(C)CCN(C)C

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.66
KCNH2 Q12809 3/20 0.66
IGF1R P08069 1/20 0.66
ERBB2 P04626 1/20 0.66
ERBB3 P21860 1/20 0.66
ERBB4 Q15303 1/20 0.66

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
SCHEMBL17373117 0.92 EGFR (0.79) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL19103455 0.92 EGFR (0.64) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL19103435 0.87 EGFR (0.86) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL22994893 0.87 EGFR (0.76) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL19103258 0.86 EGFR (0.52) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL19103453 0.86 EGFR (0.72) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL19103463 0.86 EGFR (0.86) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL19103464 0.86 EGFR (0.86) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL19103449 0.85 EGFR (0.70) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL19103478 0.85 EGFR (0.61) EGFRKCNH2IGF1RERBB2ERBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796712-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-07 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-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 EGFR 2/4885KCNH2 4416/4885IGF1R 404/4885

“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.