SCHEMBL31367582

SCHEMBL31367582

Nc1ccccc1-c1cn2cc(-c3ccccc3)cc(-c3ccccc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 5/20 0.50
ALDH1A2 O94788 4/20 0.50
ADORA1 P30542 4/20 0.49
ADORA2A P29274 3/20 0.49
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 2/20 0.44
ADORA3 P0DMS8 1/20 0.39
BRD4 O60885 1/20 0.39
NR1I2 O75469 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
PLK4 O00444 1/20 0.38
JAK2 O60674 1/20 0.38
RET P07949 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38

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
SCHEMBL31367547 0.89 ADORA1 (0.56) ALDH1A3ALDH1A2ADORA1ADORA2AALDH1A1
SCHEMBL31367579 0.89 ALDH1A3 (0.57) ALDH1A3ALDH1A2ADORA1ADORA2AALDH1A1
SCHEMBL31367607 0.85 ALDH1A3 (0.63) ALDH1A3ALDH1A2ADORA1ADORA2AALDH1A1
SCHEMBL31367402 0.84 ALDH1A3 (0.51) ALDH1A3ALDH1A2ADORA1ADORA2AALDH1A1
SCHEMBL31367576 0.83 ALDH1A3 (0.50) ALDH1A3ALDH1A2ADORA1ADORA2AALDH1A1
SCHEMBL31367585 0.83 ALDH1A3 (0.50) ALDH1A3ALDH1A2ADORA1ADORA2AALDH1A1
SCHEMBL31367413 0.83 ALDH1A3 (0.50) ALDH1A3ALDH1A2ADORA1ADORA2AALDH1A1
SCHEMBL31367441 0.83 ADORA1 (0.56) ALDH1A3ALDH1A2ADORA1ADORA2AALDH1A1
SCHEMBL31367429 0.83 ALDH1A3 (0.54) ALDH1A3ALDH1A2ADORA1ADORA2AALDH1A1
SCHEMBL31367436 0.83 ADORA1 (0.56) ALDH1A3ALDH1A2ADORA1ADORA2AALDH1A1

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-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 ALDH1A3 8/4885ALDH1A2 4/4885ADORA1 1771/4885

“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.