SCHEMBL19103306

SCHEMBL19103306

COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(C(=O)OC(C)C)c(-n2ccc3ccccc32)n1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.60
ERBB2 P04626 1/20 0.53
ERBB3 P21860 1/20 0.53
ERBB4 Q15303 1/20 0.53

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
SCHEMBL19320669 0.94 EGFR (0.55) EGFRERBB2ERBB3ERBB4
SCHEMBL19103377 0.89 EGFR (0.63) EGFRERBB2ERBB3ERBB4
SCHEMBL19103261 0.87 EGFR (0.54) EGFRERBB2ERBB3ERBB4
SCHEMBL29464116 0.86 EGFR (0.49) EGFR
SCHEMBL22510210 0.86 EGFR (0.56) EGFRERBB4
SCHEMBL17373107 0.85 EGFR (0.81) EGFRERBB2ERBB3ERBB4
SCHEMBL31059115 0.84 EGFR (0.52) EGFRERBB2ERBB3ERBB4
SCHEMBL27238237 0.84 EGFR (0.52) EGFRERBB2ERBB3ERBB4
SCHEMBL29464132 0.84 EGFR (0.49) EGFR
SCHEMBL19095658 0.83 EGFR (0.60) EGFRERBB2ERBB3ERBB4

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
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
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-07-13 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 (2 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-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 EGFR 2/4885ERBB2 1/4885ERBB3 3/4885
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 EGFR 2/4885ERBB2 1/4885ERBB3 3/4885

“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.