SCHEMBL4716443

SCHEMBL4716443

CCOC(=O)CNc1ccccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
AGTR1 P30556 2/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.52
PKM P14618 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 3/20 0.46
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PPID Q08752 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
NLRP3 Q96P20 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL8035251 0.88 MEN1 (0.50) MEN1KMT2AAGTR1KDM4EALDH1A1
SCHEMBL9742572 0.86 TSHR (0.61) KMT2AKDM4EALDH1A1TSHRHSD17B10
SCHEMBL5807040 0.86 KDM4E (0.53) MEN1KMT2AAGTR1KDM4EALDH1A1
SCHEMBL31518574 0.86 KDM4E (0.58) MEN1KMT2AAGTR1KDM4EALDH1A1
SCHEMBL8047673 0.86 TSHR (0.51) MEN1KMT2AAGTR1KDM4EALDH1A1
SCHEMBL19159810 0.86 ALDH1A1 (0.48) MEN1KMT2AAGTR1KDM4EALDH1A1
SCHEMBL8047226 0.86 KMT2A (0.56) MEN1KMT2AAGTR1KDM4EALDH1A1
SCHEMBL7528637 0.85 KDM4E (0.71) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL7301777 0.83 TOP2A (0.53) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL6607746 0.82 ALDH1A1 (0.50) MEN1KMT2AAGTR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 EP disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP disclosed
US-20050245552-A1 N-substituted pyridinone and pyrimidinone derivatives for use as lp-pla2 inhibitors in the treatment of artherosclerosis GLAXO GROUP LIMITED (GB) 2005-11-03 US disclosed
US-20050153964-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
EP-1492787-A2 (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
EP-1492533-A1 N-SUBSTITUTED PYRIDINONE AND PYRIMIDINONE DERIVATIVES FOR USE AS LP-PLA2 INHIBITORS IN THE TREATMENT OF ARTHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
US-5780628-A Process for producing dioxoquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed
EP-0789020-A1 Process for producing dioxoquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-13 EP disclosed
EP-0444924-B1 Fused 7-membered cyclic compound and antipsychotic preparation containing the same SUNTORY LTD (JP) 1996-01-03 EP disclosed
US-5312625-A Fused 7-membered cyclic compound and antipsychotic preparation containing the same SUNTORY LIMITED (JP) 1994-05-17 US disclosed
CN-1017242-B NEW QUIANZOLINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION FUJISAWA PHARMACEUTICAL CO (JP) 1992-07-01 CN disclosed
EP-0444924-A1 Fused 7-membered cyclic compound and antipsychotic preparation containing the same SUNTORY LIMITED (JP) 1991-09-04 EP disclosed
US-4883800-A DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-11-28 US disclosed
US-4734419-A Quinazoline derivatives, compositions thereof and their use in treating diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed
CN-86106984-A New quinazoline derivant and preparation method thereof 1987-05-20 CN disclosed
EP-0218999-A2 New quinazoline derivatives, process for their production and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-22 EP 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 (4 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 MEN1 1223/4885KMT2A 1132/4885AGTR1 739/4885
US-20050153964-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis LYPLAL1, PLA2G12A, ENPP2 MEN1 2539/4885KMT2A 2447/4885AGTR1 208/4885
US-20050245552-A1 N-substituted pyridinone and pyrimidinone derivatives for use as lp-pla2 inhibitors in the treatment of artherosclerosis PLA2G12A, PLA2G4B, PLA2G1B MEN1 2281/4885KMT2A 3388/4885AGTR1 352/4885
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B MEN1 3656/4885KMT2A 2798/4885AGTR1 155/4885

“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.