SCHEMBL1801079

SCHEMBL1801079

Cn1c(=O)c2c(N)cccc2n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PABPC1 P11940 2/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44
ATAD2 Q6PL18 1/20 0.43
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
S100B P04271 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
SCHEMBL20886848 0.79 GRM4 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL1800384 0.79 PDE5A (0.44) POLBALDH1A1
SCHEMBL22904134 0.78 MAPT (0.46) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL1801280 0.78 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPABPC1
SCHEMBL3872839 0.78 GPR3 (0.44) PIK3CAPABPC1CASP7MAPTALDH1A1
SCHEMBL12714426 0.77 MAPT (0.38) PIK3CAMAPTALDH1A1
SCHEMBL31219203 0.77 ATAD2 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGATAD2
SCHEMBL9972900 0.75 ALDH1A1 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL13537668 0.73 TRPA1 (0.50)
SCHEMBL1800761 0.73 MAPT (0.46) PIK3CDPIK3CAPIK3CBPIK3CGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 US disclosed
WO-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 WO disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US 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-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 PIK3CD 2455/4885PIK3CA 2840/4885PIK3CB 2575/4885

“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.