SCHEMBL23747172

SCHEMBL23747172

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.44
KDR P35968 1/20 0.44
EPHB4 P54760 1/20 0.44
BRAF P15056 16/20 0.42
EGFR P00533 2/20 0.39
ERBB2 P04626 1/20 0.39
MAPT P10636 1/20 0.39
GPR119 Q8TDV5 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
SCHEMBL23747170 0.95 EPHA2 (0.41) EPHA2KDREPHB4BRAFEGFR
SCHEMBL23747232 0.92 EGFR (0.47) EPHA2KDREPHB4BRAFEGFR
SCHEMBL26428660 0.88 EGFR (0.43) BRAFEGFRERBB2MAPT
SCHEMBL23747231 0.88 ERBB2 (0.49) EGFRERBB2
SCHEMBL23747254 0.84 ERBB2 (0.42) EPHA2KDREPHB4BRAFEGFR
SCHEMBL23957472 0.84 ERBB2 (0.44) BRAFEGFRERBB2MAPT
SCHEMBL30613043 0.84 BRAF (0.47) BRAFEGFRERBB2
SCHEMBL26428661 0.84 EGFR (0.41) BRAFEGFRERBB2MAPT
SCHEMBL31193378 0.84 BRAF (0.47) BRAFEGFRERBB2
SCHEMBL23750186 0.84 EGFR (0.54) EPHA2KDREPHB4BRAFEGFR

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
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
WO-2021156180-A1 [1,3]DIAZINO[5,4-D]PYRIMIDINES AS HER2 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-12 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-20230131720-A1 [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS ERBB2, ERBB3, ERBB4 EPHA2 193/4885KDR 48/4885EPHB4 901/4885

“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.