SCHEMBL1029923

SCHEMBL1029923

O=C=Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.45
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39
DYRK1A Q13627 5/20 0.39
TRPV3 Q8NET8 1/20 0.39
GRM5 P41594 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
DHODH Q02127 1/20 0.37
SLC40A1 Q9NP59 1/20 0.36
CLK2 P49760 1/20 0.36
HASPIN Q8TF76 1/20 0.36
ATR Q13535 1/20 0.36
PDE10A Q9Y233 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL1029911 0.78 XDH (0.53) XDHCTSSCTSKADORA1ADORA2A
SCHEMBL1032421 0.76 DHODH (0.58) XDHDYRK1ATRPV3PDE4APDE4B
SCHEMBL1033797 0.75 XDH (0.46) XDHCTSSCTSKDYRK1ATRPV3
SCHEMBL27810289 0.74 PDE10A (0.44) XDHCTSSCTSKADORA1ADORA2A
SCHEMBL1034552 0.74 PARP1 (0.48) XDHCTSSCTSKDYRK1ATRPV3
SCHEMBL28791131 0.73 XDH (0.46) XDHCTSSCTSKADORA1ADORA2A
SCHEMBL1033187 0.70 ABL1 (0.47) DHODHIRAK4
SCHEMBL1029916 0.70 HDAC1 (0.52) DYRK1ADHODHIRAK4
SCHEMBL1032167 0.69 MEN1 (0.48)
SCHEMBL1076614 0.69 HDAC1 (0.51) DHODHIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 XDH 895/4885CTSS 1114/4885CTSK 1511/4885

“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.