SCHEMBL12753340

SCHEMBL12753340

O=C(Nc1ccccn1)c1cccn2cc(-c3ccc(N4CCCC4)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.49
▸ ADORA3 P0DMS8 2/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KLF5 Q13887 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CHRNA7 P36544 1/20 0.43
▸ CHRNA10 Q9GZZ6 1/20 0.43
▸ CHRNA9 Q9UGM1 1/20 0.43
▸ F10 P00742 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
SCHEMBL12753397 0.93 DHODH (0.47) DHODHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12753349 0.86 GRM5 (0.46) ADORA3ADORA2AMAPTRAB9ANPC1
SCHEMBL12753625 0.86 ADORA3 (0.47) DHODHADORA3ADORA2ACHRNB2CHRNB4
SCHEMBL12753306 0.85 DHODH (0.54) DHODHADORA3CHRNB2CHRNB4CHRNA3
SCHEMBL12753462 0.84 DHODH (0.51) DHODHADORA3CHRNB2CHRNB4CHRNA3
SCHEMBL12753334 0.83 DHODH (0.45) DHODHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12753285 0.82 DHODH (0.51) DHODHADORA3CHRNB2CHRNB4CHRNA3
SCHEMBL12753619 0.82 HDAC1 (0.46) DHODHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12753632 0.80 WNT1 (0.44) DHODHADORA3ADORA2ACHRNB2CHRNB4
SCHEMBL12753301 0.78 CHRNB2 (0.49) DHODHADORA3CHRNB2CHRNB4CHRNA3

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 DHODH 1141/4885ADORA3 2311/4885ADORA2A 1984/4885

“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.

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