SCHEMBL23747232

SCHEMBL23747232

CC(C)(C)OC(=O)N1CCN(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4)c3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.47
EPHA2 P29317 1/20 0.47
KDR P35968 1/20 0.47
EPHB4 P54760 1/20 0.47
ERBB2 P04626 5/20 0.42
BRAF P15056 7/20 0.42
NQO2 P16083 1/20 0.42
FECH P22830 1/20 0.42
MYH14 Q7Z406 1/20 0.42
RIPK3 Q9Y572 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL23747231 0.93 ERBB2 (0.49) EGFRERBB2NQO2FECHMYH14
SCHEMBL23747172 0.92 EPHA2 (0.44) EGFREPHA2KDREPHB4ERBB2
SCHEMBL23747170 0.89 EPHA2 (0.41) EGFREPHA2KDREPHB4ERBB2
SCHEMBL23747106 0.89 EGFR (0.50) EGFRERBB2BRAFNQO2FECH
SCHEMBL25585865 0.88 EGFR (0.46) EGFREPHA2KDREPHB4ERBB2
SCHEMBL27197205 0.86 EGFR (0.49) EGFRERBB2BRAFNQO2FECH
SCHEMBL24945023 0.86 EGFR (0.48) EGFRERBB2BRAFNQO2FECH
SCHEMBL24945245 0.86 EGFR (0.47) EGFRERBB2NQO2FECHMYH14
SCHEMBL31193378 0.85 BRAF (0.47) EGFRERBB2BRAF
SCHEMBL30613043 0.85 BRAF (0.47) 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 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 EGFR 4/4885EPHA2 193/4885KDR 48/4885

“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.