SCHEMBL1801387

SCHEMBL1801387

Cn1cc(-c2csc(N)n2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
GSK3B P49841 1/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
ALDH1A1 P00352 7/20 0.49
MAPT P10636 5/20 0.49
KMT2A Q03164 5/20 0.49
HSD17B10 Q99714 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 4/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALOX15 P16050 2/20 0.49
THRB P10828 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
MPL P40238 1/20 0.47
DHFR P00374 1/20 0.46
NPC1 O15118 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
SCHEMBL29870510 0.75 CDC7 (0.60) GSK3BCDK5CDK5R1DHFR
SCHEMBL20620224 0.75 CDK5 (0.51) CDK5CDK5R1ALDH1A1MAPTHSD17B10
SCHEMBL5750318 0.75 CDC7 (0.60) GSK3BCDK5CDK5R1DHFR
Hydrochloric Acid SCHEMBL5749287 0.74 CDC7 (0.59) GSK3BCDK5CDK5R1DHFR
Bromide SCHEMBL7267751 0.72 CYP19A1 (0.58) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL633607 0.71 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AHSD17B10SMN1; SMN2
SCHEMBL1925027 0.71 PTGER3 (0.43) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL7267159 0.71 CDK1 (0.43) CDK1CCNB1GSK3B
Iodide SCHEMBL7275813 0.71 GSK3B (0.43) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL17179429 0.71 NPC1 (0.54) GSK3BCDK5CDK5R1ALDH1A1MAPT

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 8 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
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 US disclosed
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
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
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US 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 CDK1 2196/4885CCNB1 4379/4885GSK3B 1851/4885

“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.