SCHEMBL23747251

SCHEMBL23747251

Fc1cc(Nc2ncnc3cnc(N4CCNCC4)nc23)cc(Cl)c1Oc1ccn2ncnc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.44
ERBB2 P04626 11/20 0.44
EGFR P00533 4/20 0.44
MAPT P10636 1/20 0.44
BRAF P15056 5/20 0.38
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 3/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NQO2 P16083 1/20 0.36
FECH P22830 1/20 0.36
MYH14 Q7Z406 1/20 0.36
RIPK3 Q9Y572 1/20 0.36

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
SCHEMBL23747254 0.95 ERBB2 (0.42) BCL6ERBB2EGFRMAPTBRAF
SCHEMBL23957558 0.90 ERBB2 (0.48) ERBB2EGFRMAPTHPGDHTT
SCHEMBL23747253 0.87 BCL6 (0.50) BCL6ERBB2EGFRMAPTNQO2
SCHEMBL26428661 0.87 EGFR (0.41) ERBB2EGFRMAPTBRAF
SCHEMBL23747170 0.85 EPHA2 (0.41) ERBB2EGFRMAPTBRAF
SCHEMBL23957532 0.84 EGFR (0.53) ERBB2EGFRMAPTBRAFHPGD
SCHEMBL23957472 0.83 ERBB2 (0.44) ERBB2EGFRMAPTBRAFHPGD
SCHEMBL23747164 0.82 ERBB2 (0.54) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30576158 0.82 ERBB2 (0.54) ERBB2EGFRNQO2FECHMYH14
SCHEMBL23750404 0.82 ERBB2 (0.51) BCL6ERBB2EGFRMAPTBRAF

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 BCL6 1985/4885ERBB2 1/4885EGFR 4/4885

“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.