SCHEMBL1311162

SCHEMBL1311162

CC(C)(C)OC(=O)N1CCc2[nH]c(=S)n(-c3ccccc3)c(=O)c2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
GPR119 Q8TDV5 1/20 0.42
ESR2 Q92731 1/20 0.40
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
P2RX3 P56373 1/20 0.40
NR1H2 P55055 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
STAT1 P42224 1/20 0.38
DDB1 Q16531 1/20 0.38

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
SCHEMBL3295060 0.92 MAPK1 (0.44) MAPK1GPR119ESR2GRM5GRM1
SCHEMBL17518353 0.89 MAPT (0.46) GPR119ESR2P2RX3ALDH1A1SMN1; SMN2
SCHEMBL17518345 0.84 P2RX3 (0.43) MAPK1ESR2P2RX3NR1H2PARP1
SCHEMBL17518221 0.81 P2RX3 (0.40) MAPK1ESR2GRM5GRM1P2RX3
SCHEMBL29579608 0.81 MAPT (0.48) GPR119P2RX3ALDH1A1SMN1; SMN2MEN1
SCHEMBL22423970 0.79 GPR119 (0.47) GPR119
SCHEMBL13328820 0.78 MAPK1 (0.41) MAPK1ESR2P2RX3NR1H2PARP1
SCHEMBL22410804 0.77 P2RX3 (0.44) MAPK1GRM5GRM1P2RX3PARP1
SCHEMBL16005978 0.77 ALDH1A1 (0.46) MAPK1ESR2ALDH1A1SMN1; SMN2HTT
SCHEMBL31638196 0.75 P2RX3 (0.41) MAPK1ESR2P2RX3NR1H2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016024598-A1 NOVEL TETRAHYDRO PYRIDOPYRIMIDINONE DERIVATIVE 味の素株式会社 2016-02-18 WO disclosed
US-20150368242-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-12-24 US disclosed
US-20150368242-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-12-24 US disclosed
WO-2015129845-A1 NOVEL TETRAHYDRO PYRIDO PYRIMIDINONE DERIVATIVE 味の素株式会社 2015-09-03 WO disclosed
WO-2014133134-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVE 味の素株式会社 (JP) 2014-09-04 WO disclosed
US-8232282-B2 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 US disclosed
US-8232282-B2 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 US disclosed
US-8232282-B2 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 US disclosed
EP-2398800-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES MSD K.K. (JP) 2011-12-28 EP disclosed
US-20110275647-A1 PYRIMIDIN-4-(3H)-ONE DERIVATIVES MSD K.K. (JP) 2011-11-10 US disclosed
WO-2010095767-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-08-26 WO disclosed
US-20100093771-A1 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 US disclosed
US-20100093771-A1 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 US disclosed
US-20100093771-A1 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 US disclosed
EP-2078719-A1 COMPOUND HAVING BICYCLIC PYRIMIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITION COMPRISING THE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-07-15 EP disclosed
EP-2078719-A1 COMPOUND HAVING BICYCLIC PYRIMIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITION COMPRISING THE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-07-15 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 (3 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-20100093771-A1 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same GART, MGAT2, MGAT1 MAPK1 1840/4885GPR119 4/4885ESR2 3969/4885
US-20150368242-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVE MGAT2, MGAT1, MGAT3 MAPK1 2101/4885GPR119 73/4885ESR2 3178/4885
US-20110275647-A1 PYRIMIDIN-4-(3H)-ONE DERIVATIVES ABL1, JAK2, JAK1 MAPK1 967/4885GPR119 1918/4885ESR2 3139/4885

“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.