SCHEMBL12753293

SCHEMBL12753293

O=C(Nc1ccccn1)c1cccn2cc(-c3ccccc3F)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.52
▸ CHRNB4 P30926 1/20 0.52
▸ CHRNA3 P32297 1/20 0.52
▸ CHRNA4 P43681 1/20 0.52
▸ TP53 P04637 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ F10 P00742 1/20 0.41
▸ KCNMA1 Q12791 1/20 0.41
▸ MAP3K5 Q99683 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ SGMS2 Q8NHU3 1/20 0.40

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
SCHEMBL12753275 0.87 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL12753306 0.85 DHODH (0.54) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL12753301 0.82 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL12753290 0.82 GAA (0.51) TP53MAPTMEN1KMT2AKDM4E
SCHEMBL12753285 0.81 DHODH (0.51) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL12753462 0.81 DHODH (0.51) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL13579055 0.78 EPHB4 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL12753484 0.78 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL12753340 0.77 DHODH (0.49) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL12753397 0.75 DHODH (0.47) CHRNB2CHRNB4CHRNA3CHRNA4TP53

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 CHRNB2 3504/4885CHRNB4 3650/4885CHRNA3 2703/4885

“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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