SCHEMBL66937

SCHEMBL66937

O=c1[nH]c(=O)c2ncccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.58
KDM4E B2RXH2 3/20 0.50
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
ADORA2A P29274 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 2/20 0.44
DAO P14920 2/20 0.43
ATAD2 Q6PL18 1/20 0.43
PDE9A O76083 3/20 0.42
KCNMA1 Q12791 2/20 0.42
PDE2A O00408 1/20 0.42
PDE6D O43924 1/20 0.42
PDE8A O60658 1/20 0.42
PDE5A O76074 1/20 0.42
PDE8B O95263 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42
PDE4A P27815 1/20 0.42
PDE6B P35913 1/20 0.42

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
SCHEMBL21617539 0.81 PARP1 (0.50) PARP1KDM4ECA12CA9ADORA2A
SCHEMBL3538780 0.78 PARP1 (0.47) PARP1KDM4ECA12CA9ADORA2A
SCHEMBL12396542 0.75 PARP1 (0.55) PARP1KDM4EADORA2AADORA3ADORA1
SCHEMBL30322789 0.75 PARP1 (0.55) PARP1KDM4EADORA2AADORA3ADORA1
SCHEMBL11014041 0.75 PARP1 (0.52) PARP1KDM4EADORA2AADORA3ADORA1
SCHEMBL29480586 0.75 PRKD3 (0.49) PARP1KDM4ECA12CA9DAO
SCHEMBL340944 0.75 PRKD3 (0.49) PARP1KDM4ECA12CA9DAO
SCHEMBL14933613 0.74 PARP1 (0.77) PARP1KDM4EDAOATAD2PDE9A
Hydrochloric Acid SCHEMBL30775701 0.73 PRKD3 (0.47) PARP1KDM4ECA12CA9DAO
Hydrochloric Acid SCHEMBL30594385 0.73 PRKD3 (0.47) PARP1KDM4ECA12CA9DAO

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 244 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563329-A Novel pyridopyrimidinedione compound and preparation method and application thereof 上海搜果科技有限公司 2021-10-29 CN claimed
CN-108727367-B Benzoxazinone compound containing pyridopyrimidinedione, preparation method and application thereof, and herbicide composition 山东先达农化股份有限公司 2021-01-05 CN claimed
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US claimed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO claimed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US claimed
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 EP claimed
US-20100144740-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS NOVARTIS AG (CH) 2010-06-10 US claimed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 WO claimed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 US claimed
EP-2178562-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP claimed
WO-2009010529-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO claimed
US-20040138454-A1 Fused pyridine derivatives for use as vanilloid receptor antagonists for treating pain CULSHAW ANDREW JAMES (GB) 2004-07-15 US claimed
US-6413724-B1 SCREENING FOR DRUGS THAT MODULATE ENZYMES OR BIOLOGICAL RECEPTORS VERSICOR, INC. 2002-07-02 US claimed
US-6025371-A Solid phase and combinatorial library syntheses of fused 2,4-pyrimidinediones VERSICOR, INC. (US) 2000-02-15 US claimed
WO-1998018781-A9 FUSED 2,4-PYRIMIDINEDIONE COMBINATORIAL LIBRARIES, THEIR PREPARATION AND THE USE OF FUSED 2,4-PYRIMIDINEDIONES DERIVATIVES AS ANTIMICROBIAL AGENTS 1998-08-20 WO claimed
WO-1998018781-A2 FUSED 2,4-PYRIMIDINEDIONE COMBINATORIAL LIBRARIES, THEIR PREPARATION AND THE USE OF FUSED 2,4-PYRIMIDINEDIONES DERIVATIVES AS ANTIMICROBIAL AGENTS VERSICOR, INC. (US) 1998-05-07 WO claimed
EP-0677516-A1 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1995-10-18 EP claimed
EP-0468187-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1992-01-29 EP claimed
US-12630566-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2026-05-19 US disclosed
US-3836351-A METHOD OF CONTROLLING PLANT GROWTH WITH 3-SUBSTITUTED-PYRIDO {8 3,2-d{9 PYRIMIDINE-2,4-(1H,3H)-DIONES AMCHEM PROD 1974-09-17 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 (5 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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S PARP1 2579/4885KDM4E 2451/4885CA12 2359/4885
US-20040138454-A1 Fused pyridine derivatives for use as vanilloid receptor antagonists for treating pain TRPV1, OPRL1, OPRK1 PARP1 2409/4885KDM4E 2779/4885CA12 4719/4885
US-12630566-B2 KRas G12D inhibitors KRAS, NRAS, HRAS PARP1 2766/4885KDM4E 2825/4885CA12 3093/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S PARP1 2579/4885KDM4E 2451/4885CA12 2359/4885
US-20100144740-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS TRPV2, TRPV1, TRPV3 PARP1 2405/4885KDM4E 4559/4885CA12 2134/4885

“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.