SCHEMBL1031619

SCHEMBL1031619

O=C(Nc1cccnc1)c1cccc2ccc(-c3cccc(C(F)F)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.50
▸ EGLN1 Q9GZT9 1/20 0.49
▸ KMT2A Q03164 4/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ BCR P11274 2/20 0.46
▸ SRC P12931 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ CYP11B2 P19099 3/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP2C9 P11712 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ BRAF P15056 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 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
SCHEMBL1031934 0.88 EGLN1 (0.60) SIRT2EGLN1KMT2AABL1BCR
SCHEMBL1033101 0.86 EGLN1 (0.50) SIRT2EGLN1KMT2AABL1BCR
SCHEMBL1032356 0.84 CSF1R (0.54) SIRT2EGLN1KMT2AABL1BCR
SCHEMBL1030617 0.82 ABL1 (0.52) SIRT2EGLN1KMT2AABL1MEN1
SCHEMBL1034242 0.81 ALDH1A1 (0.54) SIRT2EGLN1ABL1BCRSRC
SCHEMBL13187214 0.80 SIRT2 (0.47) SIRT2EGLN1MAPTNPC1RAB9A
SCHEMBL1034553 0.80 EPHX2 (0.54) SIRT2EGLN1KMT2AMEN1MAPT
SCHEMBL1077393 0.79 ATR (0.52) SIRT2KMT2ANPC1RAB9AMCL1
SCHEMBL1031180 0.79 SIRT2 (0.51) SIRT2KMT2AMEN1MAPTNPC1
SCHEMBL1032405 0.78 PARP1 (0.53) KMT2AMEN1KDM4EALDH1A1HTT

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 SIRT2 3/4885EGLN1 546/4885KMT2A 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.

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