SCHEMBL31367441

SCHEMBL31367441

Nc1ccc(-c2cn3cc(-c4ccccc4)cc(-c4ccccc4)c3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.56
ADORA2A P29274 3/20 0.56
ALDH1A3 P47895 8/20 0.54
ALDH1A2 O94788 4/20 0.54
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
DHODH Q02127 1/20 0.45
SLC2A1 P11166 1/20 0.44
RAB9A P51151 2/20 0.43
PLK4 O00444 1/20 0.43
JAK2 O60674 1/20 0.43
RET P07949 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL31367436 1.00 ADORA1 (0.56) ADORA1ADORA2AALDH1A3ALDH1A2ALDH1A1
SCHEMBL31367556 1.00 ADORA1 (0.56) ADORA1ADORA2AALDH1A3ALDH1A2ALDH1A1
SCHEMBL31367607 0.91 ALDH1A3 (0.63) ADORA1ADORA2AALDH1A3ALDH1A2ALDH1A1
SCHEMBL31367428 0.87 ADORA1 (0.55) ADORA1ADORA2AALDH1A3ALDH1A2ALDH1A1
SCHEMBL31367623 0.87 MAPT (0.52) ADORA1ADORA2AALDH1A3ALDH1A2ALDH1A1
SCHEMBL31367595 0.87 ADORA1 (0.55) ADORA1ADORA2AALDH1A3ALDH1A2ALDH1A1
SCHEMBL31367558 0.86 ALDH1A3 (0.54) ADORA1ADORA2AALDH1A3ALDH1A2ALDH1A1
SCHEMBL31367560 0.86 ALDH1A3 (0.62) ADORA1ADORA2AALDH1A3ALDH1A2ALDH1A1
SCHEMBL31367592 0.86 ALDH1A3 (0.57) ADORA1ADORA2AALDH1A3ALDH1A2ALDH1A1
SCHEMBL31367430 0.86 ALDH1A3 (0.68) ADORA1ADORA2AALDH1A3ALDH1A2ALDH1A1

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 ADORA1 1771/4885ADORA2A 1119/4885ALDH1A3 8/4885

“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.