SCHEMBL9980916

SCHEMBL9980916

Cn1c(-c2cccc(C(F)(F)F)c2)nc2c(NC(=O)c3ccccn3)cccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.49
BRAF P15056 1/20 0.49
NPY5R Q15761 4/20 0.47
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM4 Q14833 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
SLC11A2 P49281 2/20 0.41
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL12029184 0.91 NPY5R (0.43) NPY5RKDM4ENPC1MEN1KMT2A
SCHEMBL12029122 0.90 BRAF (0.51) BRAFNPY5RL3MBTL1MAPT
SCHEMBL12029179 0.89 NPY5R (0.45) BRAFNPY5RKDM4EMEN1KMT2A
SCHEMBL12029119 0.89 CYP2C9 (0.45) TLR7BRAFNPY5RKDM4EMEN1
SCHEMBL12029180 0.88 NPY5R (0.44) NPY5RKDM4EMEN1KMT2AMAPT
SCHEMBL12029185 0.87 NPY5R (0.45) NPY5RKDM4EMEN1KMT2AMAPT
SCHEMBL12029181 0.86 NPY5R (0.47) NPY5RKDM4EL3MBTL1NPC1RAB9A
SCHEMBL12029170 0.86 BRAF (0.50) BRAFNPY5RMEN1KMT2AMAPT
SCHEMBL12029172 0.86 KDM4E (0.54) BRAFNPY5RKDM4EMEN1KMT2A
SCHEMBL12029183 0.85 THRB (0.42) BRAFNPY5RKDM4ENPC1RAB9A

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
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
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
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
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 TLR7 2310/4885BRAF 3247/4885NPY5R 435/4885

“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.