SCHEMBL24167199

SCHEMBL24167199

CC#CC(=O)N(C)c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)cc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.45
ERBB2 P04626 7/20 0.45
FECH P22830 1/20 0.45
CDK8 P49336 1/20 0.45
MAP2K5 Q13163 1/20 0.45
CDK19 Q9BWU1 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
ERBB4 Q15303 2/20 0.44
JAK3 P52333 1/20 0.44
NCOA1 Q15788 2/20 0.44
NCOA3 Q9Y6Q9 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.43
GRM1 Q13255 1/20 0.43
KCNH2 Q12809 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL24168149 0.91 EGFR (0.48) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL24167196 0.91 ERBB2 (0.56) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL24167197 0.91 EGFR (0.44) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL24168154 0.90 NCOA1 (0.42) EGFRERBB2ERBB4JAK3NCOA1
SCHEMBL24167461 0.86 EGFR (0.44) EGFRERBB2ERBB4NCOA1NCOA3
SCHEMBL24167847 0.83 EGFR (0.43) EGFRERBB2ERBB4JAK3NCOA1
SCHEMBL24167265 0.83 EGFR (0.60) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL24168150 0.83 ERBB2 (0.55) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL24167210 0.82 EGFR (0.42) EGFRERBB2ERBB4JAK3NCOA1
SCHEMBL26007029 0.82 EGFR (0.44) EGFRERBB2ERBB4JAK3NCOA1

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 1/4885FECH 4372/4885

“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.