SCHEMBL1033832

SCHEMBL1033832

O=C(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1cscn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.47
HDAC1 Q13547 1/20 0.42
DHODH Q02127 6/20 0.41
FYN P06241 1/20 0.41
MPL P40238 1/20 0.41
ABL1 P00519 2/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
DYRK1A Q13627 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
PIM1 P11309 1/20 0.38

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
SCHEMBL1035042 0.86 TLR7 (0.43) HDAC1PIM1
SCHEMBL1029914 0.85 NPC1 (0.52) IRAK4HDAC1MPLABL1DYRK1A
SCHEMBL1034649 0.84 PIM1 (0.42) HDAC1PIM1
SCHEMBL1030376 0.84 IRAK4 (0.47) IRAK4HDAC1DHODHFYNABL1
SCHEMBL1029976 0.83 MEN1 (0.43) ABL1HTTSMN1; SMN2PIM1
SCHEMBL1034502 0.83 PIM1 (0.48) IRAK4HDAC1HTTSMN1; SMN2PIM1
SCHEMBL1036204 0.83 MAP4K4 (0.44) IRAK4FYNMPLABL1SCN10A
SCHEMBL1031176 0.82 NPC1 (0.47) IRAK4HTTSMN1; SMN2PIM1
SCHEMBL1029916 0.82 HDAC1 (0.52) IRAK4HDAC1DHODHMPLABL1
SCHEMBL1033811 0.82 SCN9A (0.44) DHODHABL1SCN10AHTTSMN1; 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 8 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
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 IRAK4 2770/4885HDAC1 87/4885DHODH 1011/4885

“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.