SCHEMBL1031946

SCHEMBL1031946

O=C(Nc1cccnc1Cl)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RXFP1 Q9HBX9 5/20 0.46
NNMT P40261 1/20 0.46
MAPT P10636 3/20 0.44
PLEC Q15149 1/20 0.44
KMO O15229 1/20 0.44
FGFR4 P22455 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL1034305 0.86 KMO (0.49) MEN1KMT2ARXFP1MAPTKMO
SCHEMBL1033871 0.83 FGFR4 (0.51) MEN1KMT2ARXFP1MAPTKMO
SCHEMBL1033800 0.83 KMO (0.47) KDRMEN1KMT2ARXFP1MAPT
SCHEMBL1031638 0.81 ALDH1A1 (0.47) RXFP1MAPTKMOFGFR4MAPKAPK2
SCHEMBL12673319 0.81 PARP1 (0.61) MEN1KMT2ARXFP1NNMTKDM4E
SCHEMBL1034072 0.81 JAK2 (0.51) KDRRXFP1MAPTKMOEGLN1
SCHEMBL1033644 0.81 FGFR4 (0.56) MEN1KMT2ARXFP1KMOFGFR4
SCHEMBL1052702 0.81 KCNQ3 (0.60) RXFP1FGFR4MAPKAPK2EGLN1
SCHEMBL1034065 0.81 RXFP1 (0.53) MEN1KMT2ARXFP1MAPTRAB9A
SCHEMBL1033391 0.80 SIRT2 (0.50) KMT2ARXFP1MAPTKMOFGFR4

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 KDR 1845/4885MEN1 2841/4885KMT2A 997/4885

“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.