SCHEMBL479505

SCHEMBL479505

O=C(O)Cn1ncc2cncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 6/20 0.44
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NTRK1 P04629 1/20 0.35
EGFR P00533 1/20 0.34
LMNA P02545 4/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 7/20 0.33
CYP2C9 P11712 6/20 0.33
CYP3A4 P08684 5/20 0.33
CYP2C19 P33261 4/20 0.33
ALDH1A1 P00352 4/20 0.33
TSHR P16473 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HBB P68871 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL9934185 0.85 ABL1 (0.40) KMOKDM4ENTRK1LMNAMAPK1
SCHEMBL4508432 0.77 KDM4E (0.50) KMOHSD17B10KDM4EMAPTTDP1
SCHEMBL23055223 0.75 KMO (0.50) KMOHSD17B10KDM4EMAPTTDP1
SCHEMBL2244617 0.75 XDH (0.46) HSD17B10MAPTEGFRLMNAHPGD
SCHEMBL30252102 0.74 HCAR2 (0.33) HSD17B10EGFRLMNACYP1A2CYP2C9
SCHEMBL17261540 0.74 HCAR2 (0.33) HSD17B10EGFRLMNACYP1A2CYP2C9
SCHEMBL9983135 0.72 NPC1 (0.41) HSD17B10KDM4ECYP1A2CYP2C9CYP3A4
SCHEMBL31162924 0.72 NPC1 (0.41) HSD17B10KDM4ECYP1A2CYP2C9CYP3A4
SCHEMBL24784034 0.72 NOTUM (0.52) NTRK1EGFRMEN1KMT2A
SCHEMBL30135342 0.72 RECQL (0.54) HSD17B10MAPTLMNAHPGDCYP1A2

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
EP-2708538-B1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators GLENMARK PHARMACEUTICALS SA (CH) 2015-08-12 EP disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 US disclosed
US-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-05-08 US disclosed
EP-2708538-A1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators Glenmark Pharmaceuticals S.A. (CH) 2014-03-19 EP disclosed
EP-2411393-B1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2014-01-22 EP disclosed
US-8623880-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-07 US disclosed
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
EP-2411393-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
WO-2010109287-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-30 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 (2 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-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 KMO 1531/4885HSD17B10 3078/4885KDM4E 4718/4885
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 KMO 886/4885HSD17B10 3549/4885KDM4E 4677/4885

“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.