SCHEMBL1035120

SCHEMBL1035120

O=C(Nc1nccs1)c1cccc2cnc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.48
EGFR P00533 2/20 0.47
KDR P35968 2/20 0.47
FGFR1 P11362 1/20 0.47
PSMD14 O00487 1/20 0.46
STAMBP O95630 1/20 0.46
COPS5 Q92905 1/20 0.46
NPC1 O15118 6/20 0.45
RAB9A P51151 5/20 0.45
SCN9A Q15858 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PARP1 P09874 1/20 0.44

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
SCHEMBL1034835 0.85 SIRT2 (0.51) SIRT2EGFRKDRFGFR1PSMD14
SCHEMBL1034583 0.85 CYP1A2 (0.50) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL1034289 0.83 NPC1 (0.50) SIRT2PSMD14STAMBPCOPS5NPC1
SCHEMBL1034456 0.82 FGFR4 (0.48) SIRT2NPC1RAB9AMEN1KMT2A
SCHEMBL1035300 0.82 LMNA (0.51) SIRT2EGFRKDRFGFR1NPC1
SCHEMBL1034684 0.82 CSF1R (0.56) SIRT2KDRMEN1KMT2AMAPT
SCHEMBL1035413 0.81 MPL (0.49) MEN1KMT2ACYP1A2SMN1; SMN2PARP1
SCHEMBL1935556 0.81 SCN9A (0.45) SIRT2EGFRKDRFGFR1NPC1
SCHEMBL12673116 0.80 PARP1 (0.62) EGFRKDRFGFR1NPC1RAB9A
SCHEMBL1035109 0.79 PARP1 (0.54) NPC1RAB9AMEN1KMT2ACYP1A2

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 SIRT2 3/4885EGFR 4745/4885KDR 1845/4885

“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.