SCHEMBL23880655

SCHEMBL23880655

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

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.66
ERBB2 P04626 1/20 0.60
ERBB3 P21860 1/20 0.60
ERBB4 Q15303 1/20 0.60

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
SCHEMBL31289136 1.00 EGFR (0.66) EGFRERBB2ERBB3ERBB4
SCHEMBL17385141 0.93 EGFR (0.63) EGFRERBB2ERBB3ERBB4
SCHEMBL30748688 0.93 EGFR (0.63) EGFRERBB2ERBB3ERBB4
SCHEMBL29146006 0.92 EGFR (0.56) EGFRERBB2ERBB3ERBB4
SCHEMBL24464114 0.92 EGFR (0.55) EGFRERBB2ERBB3ERBB4
SCHEMBL19103269 0.91 EGFR (0.57) EGFRERBB2ERBB3ERBB4
SCHEMBL19103257 0.91 EGFR (0.54) EGFRERBB2ERBB3ERBB4
SCHEMBL28839358 0.91 EGFR (0.57) EGFRERBB2ERBB3ERBB4
SCHEMBL17384784 0.90 EGFR (0.66) EGFRERBB2ERBB3ERBB4
SCHEMBL24771072 0.90 EGFR (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084431-B2 Pharmaceutical salts of pyrimidine derivatives and method of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-10 US disclosed
EP-4234547-A2 PHARMACEUTICAL SALTS OF PYRIMIDINE DERIVATIVES AND METHOD OF TREATING DISORDERS Takeda Pharmaceutical Company Limited (JP) 2023-08-30 EP disclosed
US-20230150975-A1 COMPOUNDS USED AS KINASE INHIBITORS AND APPLICATION THEREOF TYK MEDICINES (ZHENGZHOU), INC. (CN) 2023-05-18 US disclosed
US-20210309640-A1 PHARMACEUTICAL SALTS OF PYRIMIDINE DERIVATIVES AND METHOD OF TREATING DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-07 US disclosed
CN-112313223-A Pharmaceutically acceptable salts of pyrimidine derivatives and methods of treating conditions 阿瑞雅德制药公司 2021-02-02 CN 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 (3 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-12084431-B2 Pharmaceutical salts of pyrimidine derivatives and method of treating disorders DPYD, TYMP, TYMS EGFR 5/4885ERBB2 18/4885ERBB3 25/4885
US-20210309640-A1 PHARMACEUTICAL SALTS OF PYRIMIDINE DERIVATIVES AND METHOD OF TREATING DISORDERS DPYD, TYMP, TYMS EGFR 9/4885ERBB2 23/4885ERBB3 34/4885
US-20230150975-A1 COMPOUNDS USED AS KINASE INHIBITORS AND APPLICATION THEREOF EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885ERBB3 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.