SCHEMBL24167371

SCHEMBL24167371

O=[N+]([O-])c1ccc2ncnc(Nc3ccc(Cc4ccn5ncnc5c4)c(F)c3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.50
EGFR P00533 9/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
EIF2AK2 P19525 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.42
KIT P10721 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
GAA P10253 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ERBB2 P04626 1/20 0.39
NQO2 P16083 1/20 0.39
FECH P22830 1/20 0.39
MYH14 Q7Z406 1/20 0.39

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
SCHEMBL24167630 0.90 MAPT (0.51) ALKEGFRALDH1A1MAPTHTT
SCHEMBL24167661 0.90 ALK (0.50) ALKEGFRALDH1A1MAPTHTT
SCHEMBL24168089 0.88 ALK (0.58) ALKEGFRALDH1A1MAPTHTT
SCHEMBL24167223 0.86 EGFR (0.51) EGFRERBB2NQO2FECHMYH14
SCHEMBL24168191 0.82 ERBB2 (0.55) ALKEGFRALDH1A1MAPTHTT
SCHEMBL24168241 0.81 EGFR (0.46) EGFR
SCHEMBL24167648 0.80 EGFR (0.53) EGFRABCG2ERBB2
SCHEMBL26017422 0.78 EGFR (0.47) EGFRERBB2
SCHEMBL24168168 0.77 ALDH1A1 (0.61) ALKEGFRALDH1A1MAPTHTT
SCHEMBL24167928 0.77 ALK (0.57) ALKEGFRALDH1A1MAPTHTT

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 3 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
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 ALK 8/4885EGFR 6/4885ALDH1A1 2707/4885

“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.