SCHEMBL22983908

SCHEMBL22983908

COc1ccc(COc2ccc(Nc3ncnc4cc(O)c([N+](=O)[O-])cc34)cc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.52
GAK O14976 1/20 0.52
KDR P35968 5/20 0.50
EPHA2 P29317 4/20 0.50
ERBB2 P04626 3/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
RET P07949 1/20 0.49
KIF5B P33176 1/20 0.49
LCK P06239 2/20 0.49
EPHB4 P54760 3/20 0.49
ERBB4 Q15303 1/20 0.48

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
SCHEMBL29718888 1.00 EGFR (0.52) EGFRGAKKDREPHA2ERBB2
SCHEMBL29719043 0.90 EGFR (0.56) EGFRGAKKDREPHA2ERBB2
SCHEMBL22983497 0.90 EGFR (0.56) EGFRGAKKDREPHA2ERBB2
SCHEMBL22983548 0.85 EGFR (0.51) EGFRGAKKDREPHA2ERBB2
SCHEMBL29719222 0.85 EGFR (0.51) EGFRGAKKDREPHA2ERBB2
SCHEMBL29719131 0.84 EGFR (0.67) EGFRGAKERBB2ERBB4
SCHEMBL22983584 0.84 EGFR (0.67) EGFRGAKERBB2ERBB4
SCHEMBL21835265 0.82 EGFR (0.64) EGFRERBB2ABCG2LCKERBB4
SCHEMBL31193348 0.81 EGFR (0.55) EGFRGAKKDREPHA2ERBB2
SCHEMBL4728689 0.79 PDE5A (0.55) EGFRERBB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013749-B1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS INC (US) 2026-03-11 EP disclosed
US-12435046-B2 Alkynyl quinazoline compounds BLACK DIAMOND THERAPEUTICS, INC. (US) 2025-10-07 US disclosed
US-20220298120-A1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS, INC. 2022-09-22 US disclosed
CN-114787150-A Alkynyl quinazoline compounds 黑钻治疗公司 2022-07-22 CN disclosed
EP-4013749-A1 ALKYNYL QUINAZOLINE COMPOUNDS Black Diamond Therapeutics, Inc. (US) 2022-06-22 EP disclosed
WO-2021030711-A1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-02-18 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 (2 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-12435046-B2 Alkynyl quinazoline compounds GLS, GLS2, MCL1 EGFR 677/4885GAK 612/4885KDR 917/4885
US-20220298120-A1 ALKYNYL QUINAZOLINE COMPOUNDS GLS, GLS2, MCL1 EGFR 677/4885GAK 612/4885KDR 917/4885

“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.