SCHEMBL23747254

SCHEMBL23747254

Clc1cc(Nc2ncnc3cnc(N4CCNCC4)nc23)cc(Cl)c1Oc1ccn2ncnc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 7/20 0.42
EGFR P00533 5/20 0.42
MAPT P10636 1/20 0.42
BCL6 P41182 1/20 0.42
BRAF P15056 8/20 0.39
NQO2 P16083 1/20 0.38
FECH P22830 1/20 0.38
MYH14 Q7Z406 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37

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
SCHEMBL23747251 0.95 BCL6 (0.44) ERBB2EGFRMAPTBCL6BRAF
SCHEMBL23747253 0.91 BCL6 (0.50) ERBB2EGFRMAPTBCL6NQO2
SCHEMBL26428660 0.86 EGFR (0.43) ERBB2EGFRMAPTBRAF
SCHEMBL23747164 0.85 ERBB2 (0.54) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30576158 0.85 ERBB2 (0.54) ERBB2EGFRNQO2FECHMYH14
SCHEMBL23957558 0.84 ERBB2 (0.48) ERBB2EGFRMAPTKDR
SCHEMBL23747172 0.84 EPHA2 (0.44) ERBB2EGFRMAPTBRAFEPHA2
SCHEMBL24945023 0.83 EGFR (0.48) ERBB2EGFRMAPTBRAFNQO2
SCHEMBL27197205 0.83 EGFR (0.49) ERBB2EGFRMAPTBRAFNQO2
SCHEMBL26428661 0.81 EGFR (0.41) ERBB2EGFRMAPTBRAF

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 ERBB2 1/4885EGFR 4/4885MAPT 4192/4885

“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.