SCHEMBL31367545

SCHEMBL31367545

NC(=O)c1cccc(-c2cc(-c3ccccc3)c3nc(-c4ccccc4)cn3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.57
TMIGD3 P0DMS9 8/20 0.49
ADORA3 P0DMS8 4/20 0.49
ALDH1A3 P47895 4/20 0.47
ALDH1A2 O94788 3/20 0.47
ADORA2A P29274 2/20 0.46
ADORA1 P30542 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SYK P43405 2/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
MAPK13 O15264 1/20 0.45
PDPK1 O15530 1/20 0.45
DYRK3 O43781 1/20 0.45
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
PRKD3 O94806 1/20 0.45
PAK4 O96013 1/20 0.45

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
SCHEMBL31367564 0.96 NR4A2 (0.52) NR4A2TMIGD3ADORA3ALDH1A3ALDH1A2
SCHEMBL31367611 0.95 NR4A2 (0.54) NR4A2TMIGD3ADORA3ALDH1A3ALDH1A2
SCHEMBL31367450 0.89 ALDH1A3 (0.52) NR4A2TMIGD3ADORA3ALDH1A3ALDH1A2
SCHEMBL31367521 0.89 ALDH1A3 (0.52) NR4A2TMIGD3ADORA3ALDH1A3ALDH1A2
SCHEMBL31367461 0.89 ALDH1A3 (0.52) NR4A2TMIGD3ADORA3ALDH1A3ALDH1A2
SCHEMBL31367509 0.82 BCAT2 (0.56) TMIGD3ADORA3ALDH1A3ALDH1A2ADORA2A
SCHEMBL31367607 0.81 ALDH1A3 (0.63) TMIGD3ADORA3ALDH1A3ALDH1A2ADORA2A
SCHEMBL31367595 0.81 ADORA1 (0.55) ALDH1A3ALDH1A2ADORA2AADORA1ALDH1A1
SCHEMBL31367544 0.81 ALDH1A3 (0.52) TMIGD3ADORA3ALDH1A3ALDH1A2ADORA2A
SCHEMBL31367586 0.78 ALDH1A3 (0.52) TMIGD3ADORA3ALDH1A3ALDH1A2ADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735442-A1 IMIDAZO[1,2-alpha]PYRIDINE COMPOUNDS FOR USE IN TREATING CANCER AND INFLAMMATORY DISEASES AND METHODS TO PREPARE SAID COMPOUNDS Theranib Inc. (CA) 2026-05-06 EP claimed
US-20250011322-A1 MEDICAL COMPOUND FOR THE INHIBITION OF ALDEHYDE DEHYDROGENASE SUBTYPE 1A THERANIB INC. (CA) 2025-01-09 US claimed
EP-4735442-A1 IMIDAZO[1,2-alpha]PYRIDINE COMPOUNDS FOR USE IN TREATING CANCER AND INFLAMMATORY DISEASES AND METHODS TO PREPARE SAID COMPOUNDS Theranib Inc. (CA) 2026-05-06 EP disclosed
US-20250011322-A1 MEDICAL COMPOUND FOR THE INHIBITION OF ALDEHYDE DEHYDROGENASE SUBTYPE 1A THERANIB INC. (CA) 2025-01-09 US 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-20250011322-A1 MEDICAL COMPOUND FOR THE INHIBITION OF ALDEHYDE DEHYDROGENASE SUBTYPE 1A ALDH2, ALDH3A1, ALDH1A1 NR4A2 841/4885TMIGD3 2337/4885ADORA3 2130/4885

“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.