SCHEMBL2303795

SCHEMBL2303795

O=C(O)c1ccnc(CN2CCOCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 3/20 0.71
▸ KDM5C P41229 2/20 0.71
▸ PIK3CA P42336 2/20 0.59
▸ KDM5A P29375 2/20 0.58
▸ KDM5B Q9UGL1 2/20 0.58
▸ WNT1 P04628 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.46
▸ CXCR4 P61073 1/20 0.46
▸ KDM2B Q8NHM5 1/20 0.45
▸ KMO O15229 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ KDM6B O15054 1/20 0.42

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
SCHEMBL12640106 0.87 KDM5C (0.54) KDM4CKDM5CPIK3CAKDM5AKDM5B
SCHEMBL2305288 0.87 KDM4C (0.76) KDM4CKDM5CPIK3CAKDM5AKDM5B
SCHEMBL15636461 0.87 KDM4C (0.76) KDM4CKDM5CPIK3CAKDM5AKDM5B
SCHEMBL16291774 0.85 KDM4C (0.74) KDM4CKDM5CPIK3CAKDM5AKDM5B
SCHEMBL1287025 0.84 KDM5C (0.51) KDM4CKDM5CPIK3CAWNT1GSK3B
SCHEMBL28441622 0.83 KDM4C (0.71) KDM4CKDM5CPIK3CAKDM5AKDM5B
SCHEMBL2305325 0.78 HRH3 (0.62) KDM4CKDM5CPIK3CAKDM5AKDM5B
SCHEMBL24214180 0.77 KDM4C (0.63) KDM4CKDM5CPIK3CAKDM5AKDM5B
SCHEMBL17075537 0.77 HRH3 (0.61) KDM4CKDM5CPIK3CAKDM5AKDM5B
SCHEMBL14825405 0.77 KDM5C (0.62) KDM4CKDM5CKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 — — US disclosed
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 — — US disclosed
EP-2350051-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-08-03 — — EP disclosed
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 — — WO disclosed
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 — — 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-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 KDM4C 1645/4885KDM5C 1023/4885PIK3CA 1837/4885

“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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