SCHEMBL22955737

SCHEMBL22955737

C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(OCC)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.85
ERBB2 P04626 1/20 0.85
ERBB3 P21860 1/20 0.85
ERBB4 Q15303 1/20 0.85
KCNH2 Q12809 2/20 0.68
IGF1R P08069 1/20 0.67

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
SCHEMBL22955199 0.94 EGFR (0.88) EGFRERBB2ERBB3ERBB4KCNH2
SCHEMBL22955045 0.94 EGFR (0.87) EGFRERBB2ERBB3ERBB4KCNH2
SCHEMBL19095645 0.92 EGFR (1.00) EGFRERBB2ERBB3ERBB4KCNH2
Mobocertinib SCHEMBL30531221 0.92 EGFR (1.00) EGFRERBB2ERBB3ERBB4KCNH2
Mobocertinib SCHEMBL17373133 0.92 EGFR (1.00) EGFRERBB2ERBB3ERBB4KCNH2
Mobocertinib SCHEMBL30531240 0.92 EGFR (0.99) EGFRERBB2ERBB3ERBB4KCNH2
Mobocertinib SCHEMBL30531258 0.92 EGFR (0.99) EGFRERBB2ERBB3ERBB4KCNH2
SCHEMBL19095675 0.91 EGFR (1.00) EGFRERBB2ERBB3ERBB4KCNH2
Mobocertinib SCHEMBL30531218 0.90 EGFR (0.96) EGFRERBB2ERBB3ERBB4KCNH2
SCHEMBL19095659 0.90 EGFR (1.00) 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 4 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
WO-2021018017-A1 PYRIMIDINE COMPOUND ACTING ON EGFR AND ERBB2 南京明德新药研发有限公司 2021-02-04 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-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.