SCHEMBL24167451

SCHEMBL24167451

CN(C)CC#CC(=O)N(C)c1ccc2ncnc(Nc3ccc(Oc4cc(=O)n(C)cn4)cc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.45
ERBB2 P04626 15/20 0.45
ERBB4 Q15303 4/20 0.40
JAK3 P52333 1/20 0.40
NPC1 O15118 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
MAPT P10636 1/20 0.38
GRM1 Q13255 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL24167465 0.92 EGFR (0.41) EGFRERBB2ERBB4JAK3NPC1
SCHEMBL24167802 0.90 EGFR (0.46) EGFRERBB2ERBB4JAK3NPC1
SCHEMBL24167452 0.90 EGFR (0.50) EGFRERBB2
SCHEMBL24167456 0.88 EGFR (0.60) EGFRERBB2ERBB4
SCHEMBL24167863 0.87 EGFR (0.45) EGFRERBB2ERBB4JAK3NPC1
SCHEMBL24167208 0.86 EGFR (0.43) EGFRERBB2ERBB4JAK3NPC1
SCHEMBL24168128 0.86 EGFR (0.54) EGFRERBB2ERBB4JAK3KDM4E
SCHEMBL24167848 0.85 EGFR (0.47) EGFRERBB2ERBB4JAK3NPC1
SCHEMBL24168149 0.83 EGFR (0.48) EGFRERBB2ERBB4JAK3NPC1
SCHEMBL24167467 0.81 EGFR (0.49) EGFRERBB2ERBB4

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 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.