SCHEMBL12029142

SCHEMBL12029142

O=C(Nc1ccccn1)c1cccc2c(=O)[nH]c(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.48
▸ TNKS O95271 4/20 0.46
▸ TNKS2 Q9H2K2 4/20 0.46
▸ PARP2 Q9UGN5 2/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ PIN1 Q13526 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ AURKA O14965 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
SCHEMBL12673307 0.88 PARP1 (0.64) PARP1PARP2CHRNB2CHRNB4CHRNA3
SCHEMBL12029304 0.85 CHRNB2 (0.43) PARP1TNKSTNKS2CHRNB2CHRNB4
SCHEMBL12029317 0.84 GRM4 (0.43) PARP1TNKSTNKS2PARP2CHRNB2
SCHEMBL12029310 0.83 PARP1 (0.48) PARP1TNKSTNKS2CHRNB2CHRNB4
SCHEMBL9980760 0.82 TLR7 (0.51) PARP1TNKSTNKS2PARP2ALDH1A1
SCHEMBL9980944 0.80 ALDH1A1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL12029308 0.79 NPC1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4GRM5
SCHEMBL465964 0.79 GRM5 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL12029210 0.78 MAPT (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1033871 0.78 FGFR4 (0.51) PARP1CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 — — US disclosed
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 — — US disclosed
EP-2344475-B1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 — — EP disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 — — 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-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 174/4885TNKS 414/4885TNKS2 803/4885

“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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