SCHEMBL1029917

SCHEMBL1029917

O=C(Nc1nccs1)Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.54
▸ KDR P35968 4/20 0.54
▸ FGFR1 P11362 3/20 0.54
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ CTSA P10619 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ MPL P40238 1/20 0.42
▸ IDH2 P48735 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL17772319 0.93 EGFR (0.48) EGFRKDRFGFR1SIRT2IDH2
SCHEMBL1032586 0.86 SIRT2 (0.51) EGFRKDRFGFR1SIRT2CTSA
SCHEMBL1074809 0.84 SLC40A1 (0.48) EGFRKDRFGFR1CTSADYRK1A
SCHEMBL1035542 0.83 EGFR (0.52) EGFRKDRFGFR1SIRT2NPC1
SCHEMBL1035290 0.81 NPC1 (0.55) EGFRKDRFGFR1SIRT2NPC1
SCHEMBL1034665 0.79 CTSA (0.41) CTSADYRK1ASLC40A1ROCK2
SCHEMBL1029916 0.78 HDAC1 (0.52) KDRSIRT2MPLDYRK1AIRAK4
SCHEMBL1033832 0.77 IRAK4 (0.47) MPLDYRK1AFYNSLC40A1PIM1
SCHEMBL1029914 0.77 NPC1 (0.52) MPLNPC1RAB9AMEN1KMT2A
SCHEMBL13187297 0.77 NPC1 (0.50) EGFRKDRFGFR1SIRT2CTSA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083438-B The quinoline of conditioning agent and related analogs as silent message regulatory factor 西特里斯药业公司 2016-11-09 — — CN disclosed
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
CN-102083438-A Quenolines and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-01 — — CN 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 EGFR 4745/4885KDR 1845/4885FGFR1 2345/4885

“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.

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