SCHEMBL24167177

SCHEMBL24167177

CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)cc3F)c2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.49
ERBB2 P04626 15/20 0.49
ERBB4 Q15303 8/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
NQO2 P16083 1/20 0.48
FECH P22830 1/20 0.48
MYH14 Q7Z406 1/20 0.48
RIPK3 Q9Y572 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL24167178 0.91 EGFR (0.54) EGFRERBB2ERBB4ABCG2NQO2
SCHEMBL24167440 0.90 EGFR (0.55) EGFRERBB2ERBB4ABCG2NQO2
SCHEMBL24167297 0.88 ERBB2 (0.53) EGFRERBB2ERBB4ABCG2NQO2
SCHEMBL26007038 0.88 EGFR (0.49) EGFRERBB2ERBB4ABCG2MEN1
SCHEMBL24167179 0.85 EGFR (0.42) EGFRERBB2NQO2FECHMYH14
SCHEMBL24167601 0.84 ERBB2 (0.65) EGFRERBB2ERBB4ABCG2NQO2
SCHEMBL24037455 0.83 EGFR (0.67) EGFRERBB2ERBB4KDR
SCHEMBL24167181 0.83 ERBB2 (0.43) EGFRERBB2NQO2FECHMYH14
SCHEMBL26005883 0.83 EGFR (0.49) EGFRERBB2ERBB4ABCG2NQO2
SCHEMBL24168049 0.83 EGFR (0.56) EGFRERBB2ERBB4ABCG2NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
WO-2022006386-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-01-06 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-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, CHEK2 EGFR 6/4885ERBB2 1/4885ERBB4 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.