SCHEMBL1052702

SCHEMBL1052702

O=C(Nc1ccc(Cl)nc1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 8/20 0.60
KCNQ2 O43526 8/20 0.60
KCNE1 P15382 7/20 0.60
KCNQ1 P51787 7/20 0.60
KCNQ5 Q9NR82 1/20 0.46
DHODH Q02127 1/20 0.44
FGFR4 P22455 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PARP1 P09874 1/20 0.44
CSF1R P07333 2/20 0.44
JAK2 O60674 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
CYP2C9 P11712 1/20 0.44
BRAF P15056 1/20 0.44
EPHB4 P54760 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
SCHEMBL1033800 0.86 KMO (0.47) KCNQ3KCNQ2KCNE1KCNQ1CA12
SCHEMBL1034065 0.85 RXFP1 (0.53) CA12CA1CA2CA9PARP1
SCHEMBL1032356 0.84 CSF1R (0.54) CSF1RBRAFMAPK14RXFP1EGLN1
SCHEMBL1031638 0.83 ALDH1A1 (0.47) FGFR4MAPKAPK2CA12CA1CA2
SCHEMBL1034072 0.83 JAK2 (0.51) CA12CA1CA2CA9CSF1R
SCHEMBL1033644 0.83 FGFR4 (0.56) FGFR4MAPKAPK2PARP1RXFP1NFKB1
SCHEMBL1034305 0.82 KMO (0.49) FGFR4MAPKAPK2CA12CA1CA2
SCHEMBL1032169 0.82 HIF1A (0.44) KCNQ3KCNQ2KCNE1KCNQ1DHODH
SCHEMBL12673179 0.81 PARP1 (0.61) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL1031946 0.81 KDR (0.47) FGFR4MAPKAPK2RXFP1EGLN1

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 KCNQ3 765/4885KCNQ2 504/4885KCNE1 3134/4885

“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.