SCHEMBL12029338

SCHEMBL12029338

Cn1c(-c2cccc(C(F)(F)F)c2)nc2c(NC(=O)c3cccc(N4CCCC4)c3)cccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
ALDH1A1 P00352 1/20 0.42
CSF1R P07333 1/20 0.42
KIT P10721 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
NPY5R Q15761 1/20 0.42
MAPT P10636 2/20 0.41
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.41
BRAF P15056 6/20 0.41
KDM4E B2RXH2 1/20 0.41
RAF1 P04049 4/20 0.41
SCN9A Q15858 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 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
SCHEMBL12029328 0.93 KDM4E (0.51) GAABRAFKDM4ERAF1SCN9A
SCHEMBL12029384 0.86 MAP3K7 (0.46) GAAALDH1A1ADORA3BRAFKDM4E
SCHEMBL12029344 0.85 NPY5R (0.42) GAANPY5RMAPTBRAFKDM4E
SCHEMBL12029170 0.84 BRAF (0.50) GAAALDH1A1CSF1RNPY5RMAPT
SCHEMBL12029205 0.83 CSF1R (0.50) GAAALDH1A1CSF1RKITNPY5R
SCHEMBL12029173 0.83 BRAF (0.53) GAAALDH1A1CSF1RKITMAPT
SCHEMBL12029175 0.83 KIT (0.51) GAAALDH1A1CSF1RKITNPY5R
SCHEMBL12029339 0.81 CNR2 (0.53) GAAALDH1A1MAPTBRAFKDM4E
SCHEMBL12029346 0.81 CHRM3 (0.42) GAAALDH1A1
SCHEMBL12029184 0.81 NPY5R (0.43) GAAALDH1A1NPY5RMAPTKDM4E

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 5 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-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 GAA 809/4885ALDH1A1 1976/4885CSF1R 1347/4885

“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.