SCHEMBL1033101

SCHEMBL1033101

O=C(Nc1cccnc1)c1cccc2ccc(-c3ccnc(C(F)F)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.50
▸ ABL1 P00519 7/20 0.47
▸ BCR P11274 7/20 0.47
▸ SRC P12931 5/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ MCL1 Q07820 1/20 0.45
▸ PDGFRB P09619 4/20 0.44
▸ PDGFRA P16234 4/20 0.44
▸ PRKCA P17252 4/20 0.44
▸ EGFR P00533 1/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ PRKCD Q05655 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL1031619 0.86 SIRT2 (0.50) EGLN1ABL1BCRSRCSIRT2
SCHEMBL1031934 0.84 EGLN1 (0.60) EGLN1ABL1BCRSRCSIRT2
SCHEMBL1033322 0.83 CHRNB2 (0.47) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1031182 0.82 SIRT2 (0.48) SIRT2NPC1RAB9AKMT2AMEN1
SCHEMBL1032356 0.80 CSF1R (0.54) EGLN1ABL1BCRSRCSIRT2
SCHEMBL1034654 0.80 RAB9A (0.44) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL1033122 0.80 PARP1 (0.47) ABL1BCRSRCALDH1A1
SCHEMBL1030617 0.78 ABL1 (0.52) EGLN1ABL1SIRT2MCL1CYP11B2
SCHEMBL1034553 0.78 EPHX2 (0.54) EGLN1SIRT2NPC1RAB9AKMT2A
SCHEMBL1034242 0.77 ALDH1A1 (0.54) EGLN1ABL1BCRSRCSIRT2

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 EGLN1 546/4885ABL1 3468/4885BCR 4169/4885

“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.

Send feedback