SCHEMBL12029328

SCHEMBL12029328

Cn1c(-c2cccc(C(F)(F)F)c2)nc2c(NC(=O)c3cccc(N4CCOCC4)c3)cccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
RAF1 P04049 17/20 0.49
BRAF P15056 17/20 0.49
TRPV4 Q9HBA0 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46

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
SCHEMBL12029338 0.93 GAA (0.43) KDM4EGAARAF1BRAFSCN9A
SCHEMBL12029339 0.87 CNR2 (0.53) KDM4EGAARAF1BRAFTRPV4
SCHEMBL12029343 0.86 KDM4E (0.49) KDM4EGAARAF1BRAF
SCHEMBL12029337 0.84 RAF1 (0.48) KDM4EGAARAF1BRAF
SCHEMBL12029170 0.82 BRAF (0.50) GAARAF1BRAF
SCHEMBL12029384 0.81 MAP3K7 (0.46) KDM4EGAABRAFTRPV4
SCHEMBL12029173 0.81 BRAF (0.53) GAARAF1BRAF
SCHEMBL12029205 0.81 CSF1R (0.50) GAARAF1BRAF
SCHEMBL12029331 0.81 CNR2 (0.46) TRPV4
SCHEMBL12029175 0.81 KIT (0.51) GAARAF1BRAF

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 KDM4E 1577/4885GAA 809/4885RAF1 1643/4885

“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.