SCHEMBL24167366

SCHEMBL24167366

Cc1ccc(Oc2cc(F)c(Nc3ncnc4ccc(NC(=O)C#CC5CC5)cc34)cc2C)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.48
ERBB2 P04626 11/20 0.48
FECH P22830 1/20 0.44
CDK8 P49336 1/20 0.44
MAP2K5 Q13163 1/20 0.44
CDK19 Q9BWU1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ERBB4 Q15303 5/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ERBB3 P21860 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL24167899 0.88 EGFR (0.47) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL24167949 0.85 ERBB2 (0.52) EGFRERBB2FECH
SCHEMBL24167953 0.84 EGFR (0.39) EGFRERBB2ERBB4ABCG2
SCHEMBL24168127 0.79 ERBB2 (0.52) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL24167252 0.79 ERBB2 (0.59) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL24168308 0.79 ERBB2 (0.47) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL26012027 0.79 ERBB2 (0.46) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL24167878 0.79 ERBB2 (0.46) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL24167367 0.77 EGFR (0.48) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL24167265 0.76 EGFR (0.60) EGFRERBB2FECHCDK8MAP2K5

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 1/4885FECH 4372/4885

“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.