SCHEMBL24167461

SCHEMBL24167461

CC#CC(=O)N(C)c1ccc2ncnc(Nc3ccc(Cc4ccc(C)nc4)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.44
NPC1 O15118 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
ERBB2 P04626 6/20 0.43
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ERBB4 Q15303 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CYP2C19 P33261 1/20 0.40
CSF1R P07333 2/20 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
SCHEMBL24167199 0.86 EGFR (0.45) EGFRNPC1NCOA1NCOA3ERBB2
SCHEMBL24167438 0.83 EGFR (0.60) EGFRERBB2ERBB4ABCG2FYN
SCHEMBL24167450 0.83 EGFR (0.42) EGFRNPC1NCOA1NCOA3ERBB2
SCHEMBL26007111 0.81 EGFR (0.42) EGFRNPC1NCOA1NCOA3ERBB2
SCHEMBL24167454 0.81 EGFR (0.41) EGFRNPC1NCOA1NCOA3ERBB2
SCHEMBL24168154 0.81 NCOA1 (0.42) EGFRNPC1NCOA1NCOA3ERBB2
SCHEMBL24167196 0.80 ERBB2 (0.56) EGFRERBB2ERBB4
SCHEMBL24167316 0.80 EGFR (0.57) EGFRNCOA1NCOA3ERBB2KDM4E
SCHEMBL24168149 0.79 EGFR (0.48) EGFRNPC1NCOA1NCOA3ERBB2
SCHEMBL24167197 0.79 EGFR (0.44) EGFRNPC1NCOA1NCOA3ERBB2

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 6/4885NPC1 3452/4885NCOA1 1171/4885

“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.