SCHEMBL24464131

SCHEMBL24464131

COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(C(=O)OC(C)C)c(-c2cn(OC(C)C)c3ccccc23)n1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.66
ERBB2 P04626 1/20 0.66
ERBB3 P21860 1/20 0.66
ERBB4 Q15303 1/20 0.66
KCNH2 Q12809 1/20 0.51

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
SCHEMBL24771923 0.95 EGFR (0.66) EGFRERBB2ERBB3ERBB4KCNH2
SCHEMBL24464102 0.94 EGFR (0.65) EGFRERBB2ERBB3ERBB4KCNH2
SCHEMBL17373089 0.92 EGFR (0.76) EGFRERBB2ERBB3ERBB4
SCHEMBL22955259 0.90 EGFR (0.69) EGFRERBB2ERBB3ERBB4KCNH2
SCHEMBL24464114 0.88 EGFR (0.55) EGFRERBB2ERBB3ERBB4
SCHEMBL17385185 0.88 EGFR (0.68) EGFRERBB2ERBB3ERBB4KCNH2
SCHEMBL24771236 0.88 EGFR (0.59) EGFRERBB2ERBB3ERBB4KCNH2
SCHEMBL19103305 0.87 EGFR (0.64) EGFRERBB2ERBB3ERBB4
SCHEMBL19103353 0.87 EGFR (0.67) EGFRERBB2ERBB3ERBB4
SCHEMBL19095658 0.87 EGFR (0.60) EGFRERBB2ERBB3ERBB4KCNH2

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
EP-4006014-B1 PYRIMIDINE COMPOUND ACTING ON EGFR AND ERBB2 CHINA RESOURCES PHARMACEUTICAL HOLDINGS COMPANY LTD (CN) 2023-10-11 EP disclosed
US-11530196-B2 Pyrimidine compound acting on EGFR and ERBB2 CHINA RESOURCES PHARMACEUTICAL HOLDINGS COMPANY LIMITED (CN) 2022-12-20 US disclosed
EP-4006014-A1 PYRIMIDINE COMPOUND ACTING ON EGFR AND ERBB2 Medshine Discovery Inc. (CN) 2022-06-01 EP 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-11530196-B2 Pyrimidine compound acting on EGFR and ERBB2 ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885ERBB3 2/4885

“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.