SCHEMBL24168255

SCHEMBL24168255

Cc1ccc(Oc2ccc(Nc3ncnc4ccc([N+](=O)[O-])cc34)cc2C)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ HTT P42858 3/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ EGFR P00533 9/20 0.60
▸ ERBB2 P04626 8/20 0.60
▸ ERBB3 P21860 1/20 0.60
▸ ERBB4 Q15303 1/20 0.60
▸ FECH P22830 1/20 0.57
▸ CDK8 P49336 1/20 0.57
▸ MAP2K5 Q13163 1/20 0.57
▸ CDK19 Q9BWU1 1/20 0.57
▸ MKNK2 Q9HBH9 1/20 0.57
▸ ALK Q9UM73 1/20 0.55
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ KCNH2 Q12809 2/20 0.51
▸ ABCG2 Q9UNQ0 2/20 0.51

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
SCHEMBL24168215 0.91 ALDH1A1 (0.59) ALDH1A1MAPTHTTL3MBTL1EGFR
SCHEMBL24168065 0.89 MAPT (0.69) ALDH1A1MAPTHTTL3MBTL1EGFR
SCHEMBL24167709 0.89 ALDH1A1 (0.57) ALDH1A1MAPTHTTL3MBTL1EGFR
SCHEMBL24167909 0.89 ALDH1A1 (0.62) ALDH1A1MAPTHTTL3MBTL1EGFR
SCHEMBL24168200 0.89 ALDH1A1 (0.56) ALDH1A1MAPTHTTL3MBTL1EGFR
SCHEMBL24167929 0.88 ALDH1A1 (0.55) ALDH1A1MAPTHTTL3MBTL1EGFR
SCHEMBL24167628 0.87 MAPT (0.56) ALDH1A1MAPTHTTL3MBTL1EGFR
SCHEMBL26006754 0.86 ALDH1A1 (0.55) ALDH1A1MAPTHTTL3MBTL1EGFR
SCHEMBL26006752 0.86 ALDH1A1 (0.55) ALDH1A1MAPTHTTL3MBTL1EGFR
SCHEMBL26006522 0.86 ALDH1A1 (0.55) ALDH1A1MAPTHTTL3MBTL1EGFR

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 ALDH1A1 2707/4885MAPT 3141/4885HTT 3486/4885

“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.

Send feedback