SCHEMBL3303490

SCHEMBL3303490

C[S+]([O-])c1nc2c(c(=O)n1-c1ccccc1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MGAT2 Q10469 3/20 0.40
PDE10A Q9Y233 1/20 0.40
MAPT P10636 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
P2RX3 P56373 1/20 0.39
MTHFD2 P13995 1/20 0.38
TGM2 P21980 1/20 0.38
C5AR1 P21730 1/20 0.38
ESR2 Q92731 1/20 0.38
F12 P00748 1/20 0.37
MAPK1 P28482 1/20 0.37
NR1H2 P55055 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL3298689 0.92 PARP1 (0.47) PARP1TNKS2PARP2MAPTGPR119
SCHEMBL3301786 0.82 MGAT2 (0.49) PARP1TNKS2PARP2MGAT2PDE10A
SCHEMBL22423972 0.81 GPR119 (0.45) PARP1TNKS2PARP2GPR119
SCHEMBL22410755 0.79 P2RX3 (0.45) PARP1TNKS2PARP2MAPTGRM5
SCHEMBL16005975 0.79 MGAT2 (0.64) PARP1TNKS2PARP2MGAT2PDE10A
SCHEMBL1312830 0.79 MGAT2 (0.47) MGAT2PDE10AMAPTP2RX3TGM2
SCHEMBL16005979 0.78 MAPT (0.40) PARP1TNKS2PARP2PDE10AMAPT
SCHEMBL13328851 0.76 F12 (0.43) PARP1TNKS2PARP2PDE10AMAPT
SCHEMBL3297765 0.75 PRLHR (0.47) MGAT2PDE10AMAPTP2RX3
SCHEMBL3296988 0.74 PARP1 (0.48) PARP1TNKS2PARP2MGAT2MAPT

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-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
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 (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-20100093771-A1 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same GART, MGAT2, MGAT1 PARP1 1574/4885TNKS2 2905/4885PARP2 2723/4885

“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.