SCHEMBL26418923

SCHEMBL26418923

C=CC(=O)N1CCN(c2ncc3ncnc(Nc4cc(Br)c(Oc5ccc6c(ccn6C)c5)cc4Cl)c3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.49
ERBB2 P04626 3/20 0.49
BRAF P15056 16/20 0.42

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
SCHEMBL23750322 0.91 ERBB2 (0.60) EGFRERBB2BRAF
SCHEMBL26418918 0.87 EGFR (0.51) EGFRERBB2BRAF
SCHEMBL26418919 0.87 EGFR (0.51) EGFRERBB2BRAF
SCHEMBL26418909 0.86 ERBB2 (0.66) EGFRERBB2BRAF
SCHEMBL26419080 0.84 EGFR (0.55) EGFRERBB2BRAF
SCHEMBL26418926 0.83 EGFR (0.51) EGFRERBB2BRAF
SCHEMBL26418704 0.81 ERBB2 (0.69) EGFRERBB2BRAF
SCHEMBL23750384 0.81 EGFR (0.53) EGFRERBB2BRAF
SCHEMBL23750119 0.80 ERBB2 (0.69) EGFRERBB2BRAF
SCHEMBL31475807 0.80 EGFR (0.52) EGFRERBB2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126204-A1 [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-04-27 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-20230126204-A1 [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS ERBB2, ERBB3, ERBB4 EGFR 4/4885ERBB2 1/4885BRAF 64/4885

“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.