SCHEMBL12753166

SCHEMBL12753166

O=C(Nc1cnccn1)c1cccn2cc(-c3ccccc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.58
▸ TMIGD3 P0DMS9 6/20 0.51
▸ ADORA3 P0DMS8 3/20 0.51
▸ GSK3A P49840 5/20 0.50
▸ MAPT P10636 2/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ ALDH1A2 O94788 2/20 0.45
▸ ALDH1A3 P47895 2/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL12753191 0.85 ALOX15 (0.55) DHODHGSK3AGSK3BSMN1; SMN2SIRT2
SCHEMBL12753158 0.81 DHODH (0.69) DHODHTMIGD3ADORA3GSK3AMAPT
SCHEMBL12753306 0.80 DHODH (0.54) DHODHTMIGD3ADORA3GSK3AMAPT
SCHEMBL12753133 0.79 ALDH1A1 (0.60) DHODHTMIGD3ADORA3GSK3AMAPT
SCHEMBL12753157 0.78 DHODH (0.58) DHODHTMIGD3ADORA3MAPTSMN1; SMN2
SCHEMBL12753285 0.77 DHODH (0.51) DHODHTMIGD3ADORA3GSK3AMAPT
SCHEMBL12753301 0.77 CHRNB2 (0.49) DHODHTMIGD3ADORA3MAPTSMN1; SMN2
SCHEMBL12753462 0.77 DHODH (0.51) DHODHTMIGD3ADORA3MAPTSMN1; SMN2
SCHEMBL1481133 0.77 DHODH (0.94) DHODHTMIGD3ADORA3SMN1; SMN2ALDH1A1
SCHEMBL12753340 0.76 DHODH (0.49) DHODHTMIGD3ADORA3GSK3AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 — — US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 — — 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-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 DHODH 1141/4885TMIGD3 2683/4885ADORA3 2311/4885

“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