SCHEMBL26428660

SCHEMBL26428660

C=CC(=O)N1CCN(c2ncc3ncnc(Nc4cc(Cl)c(Oc5ccn6ncnc6c5)c(Cl)c4)c3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.43
ERBB2 P04626 5/20 0.43
BRAF P15056 5/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL26428661 0.95 EGFR (0.41) EGFRERBB2BRAFMAPT
SCHEMBL23747106 0.92 EGFR (0.50) EGFRERBB2BRAFMAPT
SCHEMBL23747172 0.88 EPHA2 (0.44) EGFRERBB2BRAFMAPT
SCHEMBL23747166 0.86 ERBB2 (0.56) EGFRERBB2
SCHEMBL23747254 0.86 ERBB2 (0.42) EGFRERBB2BRAFMAPT
SCHEMBL26418918 0.84 EGFR (0.51) EGFRERBB2BRAFMAPT
SCHEMBL23957532 0.84 EGFR (0.53) EGFRERBB2BRAFMAPT
SCHEMBL23747170 0.84 EPHA2 (0.41) EGFRERBB2BRAFMAPT
SCHEMBL30613011 0.82 EGFR (0.46) EGFRERBB2BRAF
SCHEMBL26126846 0.82 EGFR (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131720-A1 [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS BOEHRINGER INGELHEIM RCV GMBH & CO KG (AT) 2023-04-27 US disclosed
US-20230131720-A1 [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS BOEHRINGER INGELHEIM RCV GMBH & CO KG (AT) 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-20230131720-A1 [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS ERBB2, ERBB3, ERBB4 EGFR 4/4885ERBB2 1/4885BRAF 68/4885

“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.