SCHEMBL3301786

SCHEMBL3301786

CSc1nc2c(c(=O)n1-c1ccccc1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 4/20 0.49
POLB P06746 1/20 0.44
TGM2 P21980 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PDE10A Q9Y233 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
P2RX3 P56373 1/20 0.40
MTHFD2 P13995 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3296988 0.92 PARP1 (0.48) MGAT2POLBTGM2MAPTMEN1
SCHEMBL16005975 0.88 MGAT2 (0.64) MGAT2POLBTGM2MAPTPARP1
SCHEMBL1312830 0.88 MGAT2 (0.47) MGAT2TGM2MAPTMEN1KMT2A
SCHEMBL13329615 0.85 PARP1 (0.40) MGAT2TGM2MAPTPARP1TNKS2
SCHEMBL1310306 0.83 MGAT2 (0.45) MGAT2TGM2MAPTMEN1KMT2A
SCHEMBL1311942 0.83 MGAT2 (0.55) MGAT2TGM2MAPTMEN1KMT2A
SCHEMBL3303490 0.82 PARP1 (0.41) MGAT2TGM2MAPTPARP1TNKS2
SCHEMBL22410639 0.80 GPR119 (0.46) MAPTPARP1TNKS2PARP2GPR119
SCHEMBL16005976 0.79 BRD3 (0.42) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22410901 0.78 P2RX3 (0.46) POLBMEN1KMT2APARP1TNKS2

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 MGAT2 2/4885POLB 1074/4885TGM2 1824/4885

“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.