SCHEMBL12753201

SCHEMBL12753201

O=C(Nc1cccn2cc(-c3cccc(-c4ccccc4)c3)nc12)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 8/20 0.54
ADORA3 P0DMS8 3/20 0.54
HDAC1 Q13547 1/20 0.53
POLB P06746 3/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
GFER P55789 1/20 0.52
DHODH Q02127 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC2 Q92769 1/20 0.46
HPGD P15428 1/20 0.46
BTK Q06187 1/20 0.46
AURKA O14965 2/20 0.45
TTK P33981 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
SCHEMBL12753210 0.86 DHODH (0.50) TMIGD3ADORA3POLBRAB9ASMN1; SMN2
SCHEMBL12753193 0.85 EPHB4 (0.54) TMIGD3ADORA3ALDH1A1BTK
SCHEMBL1419746 0.83 SMN1; SMN2 (0.62) TMIGD3ADORA3HDAC1POLBRAB9A
SCHEMBL12753199 0.79 DHODH (0.46) TMIGD3ADORA3HDAC1POLBRAB9A
SCHEMBL22329093 0.76 TMIGD3 (0.62) TMIGD3ADORA3POLBRAB9ASMN1; SMN2
SCHEMBL12752773 0.75 DHODH (0.53) TMIGD3ADORA3POLBRAB9ASMN1; SMN2
SCHEMBL12753217 0.75 TMIGD3 (0.50) TMIGD3ADORA3POLBRAB9ASMN1; SMN2
SCHEMBL12753195 0.75 MEN1 (0.55) TMIGD3ADORA3POLBALDH1A1
SCHEMBL12753133 0.75 ALDH1A1 (0.60) TMIGD3ADORA3HDAC1POLBSMN1; SMN2
SCHEMBL13408632 0.74 DHODH (0.60) TMIGD3ADORA3POLBRAB9ASMN1; SMN2

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-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
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 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-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 TMIGD3 2683/4885ADORA3 2311/4885HDAC1 22/4885

“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.