SCHEMBL26006987

SCHEMBL26006987

CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccc5ccnn5c4)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.58
ERBB2 P04626 16/20 0.58
ERBB4 Q15303 3/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
PIK3CD O00329 1/20 0.47
BTK Q06187 1/20 0.47
FYN P06241 1/20 0.44
SRC P12931 1/20 0.44

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
SCHEMBL26007032 0.90 ERBB2 (0.55) EGFRERBB2ERBB4ABCG2PIK3CD
SCHEMBL24168080 0.88 EGFR (0.55) EGFRERBB2ERBB4ABCG2PIK3CD
SCHEMBL7243449 0.86 EGFR (0.70) EGFRERBB2ERBB4ABCG2PIK3CD
SCHEMBL26007029 0.85 EGFR (0.44) EGFRERBB2ERBB4ABCG2
SCHEMBL24167178 0.82 EGFR (0.54) EGFRERBB2ERBB4ABCG2PIK3CD
SCHEMBL24167265 0.81 EGFR (0.60) EGFRERBB2ERBB4ABCG2PIK3CD
SCHEMBL24167845 0.80 EGFR (0.57) EGFRERBB2ERBB4ABCG2PIK3CD
SCHEMBL24167609 0.80 EGFR (0.54) EGFRERBB2ERBB4ABCG2PIK3CD
SCHEMBL24167214 0.79 EGFR (0.54) EGFRERBB2ERBB4ABCG2PIK3CD
SCHEMBL24167215 0.78 ERBB2 (0.53) EGFRERBB2ERBB4ABCG2PIK3CD

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 1 patent. 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

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.