SCHEMBL26006995

SCHEMBL26006995

Cc1cc(Nc2ncnc3ccc(NC(=O)C#CCO)cc23)ccc1Oc1ccn2ccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.54
EGFR P00533 16/20 0.54
ERBB4 Q15303 3/20 0.53
NQO2 P16083 1/20 0.47
FECH P22830 1/20 0.47
MYH14 Q7Z406 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
ABCG2 Q9UNQ0 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
SCHEMBL24168024 0.94 ERBB2 (0.54) ERBB2EGFRERBB4NQO2FECH
SCHEMBL26007123 0.93 ERBB2 (0.53) ERBB2EGFRERBB4NQO2FECH
SCHEMBL24167604 0.92 ERBB2 (0.55) ERBB2EGFRERBB4NQO2FECH
SCHEMBL24168148 0.92 ERBB2 (0.57) ERBB2EGFRERBB4NQO2FECH
SCHEMBL26007119 0.91 ERBB2 (0.52) ERBB2EGFRERBB4NQO2FECH
SCHEMBL24168095 0.89 ERBB2 (0.52) ERBB2EGFRERBB4NQO2FECH
SCHEMBL26007124 0.88 ERBB2 (0.57) ERBB2EGFRERBB4NQO2FECH
SCHEMBL24167439 0.88 ERBB2 (0.62) ERBB2EGFRERBB4NQO2FECH
SCHEMBL26007065 0.87 ERBB2 (0.49) ERBB2EGFRNQO2FECHMYH14
SCHEMBL12888207 0.87 ERBB2 (0.56) ERBB2EGFRNQO2FECHMYH14

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 ERBB2 1/4885EGFR 6/4885ERBB4 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.