SCHEMBL1034553

SCHEMBL1034553

O=C(Nc1cccnc1)c1cccc2ccc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
EGLN1 Q9GZT9 2/20 0.51
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
XBP1 P17861 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CSF1R P07333 3/20 0.48
KIT P10721 1/20 0.48
KDR P35968 1/20 0.48
MAPK14 Q16539 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
BRAF P15056 1/20 0.48
LRRK2 Q5S007 2/20 0.47
FGFR4 P22455 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL1032356 0.90 CSF1R (0.54) EPHX2EGLN1MAPTLMNAXBP1
SCHEMBL1031934 0.88 EGLN1 (0.60) EGLN1MAPTLMNASMN1; SMN2SIRT2
SCHEMBL1030918 0.82 SGMS2 (0.52) EGLN1MAPTSMN1; SMN2RXFP1SIRT2
SCHEMBL1034242 0.82 ALDH1A1 (0.54) EGLN1SIRT2NPC1RAB9AALDH1A1
SCHEMBL1030617 0.81 ABL1 (0.52) EGLN1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL1034318 0.80 FGFR4 (0.53) EGLN1KDRFGFR4MAPKAPK2RXFP1
SCHEMBL1035376 0.80 CSF1R (0.52) EPHX2MAPTLMNAXBP1SMN1; SMN2
SCHEMBL1031023 0.80 FGFR4 (0.55) EGLN1SMN1; SMN2L3MBTL1FGFR4MAPKAPK2
SCHEMBL1034072 0.80 JAK2 (0.51) EGLN1MAPTLMNAXBP1SMN1; SMN2
SCHEMBL1031619 0.80 SIRT2 (0.50) EGLN1MAPTSMN1; SMN2BRAFSIRT2

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 9 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-2010037127-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-04-01 WO 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 EPHX2 4812/4885EGLN1 546/4885MAPT 903/4885

“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.