SCHEMBL1312830

SCHEMBL1312830

CC(C)(C)OC(=O)N1CCc2nc(SCc3ccccc3)n(-c3ccccc3)c(=O)c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 5/20 0.47
TGM2 P21980 1/20 0.46
PDE7A Q13946 2/20 0.45
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
P2RX3 P56373 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 3/20 0.42
BRCA1 P38398 1/20 0.42
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PDE10A Q9Y233 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL1311942 0.93 MGAT2 (0.55) MGAT2TGM2PDE7ASMN1; SMN2P2RX3
SCHEMBL1310306 0.91 MGAT2 (0.45) MGAT2TGM2PDE7ATHRBSMN1; SMN2
SCHEMBL3301786 0.88 MGAT2 (0.49) MGAT2TGM2SMN1; SMN2P2RX3KMT2A
SCHEMBL16005975 0.84 MGAT2 (0.64) MGAT2TGM2P2RX3MAPTPDE10A
SCHEMBL3296988 0.80 PARP1 (0.48) MGAT2TGM2SMN1; SMN2P2RX3KMT2A
SCHEMBL3303490 0.79 PARP1 (0.41) MGAT2TGM2P2RX3MAPTMAPK1
SCHEMBL3298037 0.76 MGAT2 (0.43) MGAT2PDE7ASMN1; SMN2KMT2AMEN1
SCHEMBL3297765 0.76 PRLHR (0.47) MGAT2SMN1; SMN2P2RX3ALDH1A1LMNA
SCHEMBL13329615 0.76 PARP1 (0.40) MGAT2TGM2P2RX3MAPTMAPK1
SCHEMBL3303209 0.75 TAS1R3 (0.48) MGAT2PDE7ASMN1; SMN2KMT2AMEN1

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 7 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
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
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
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 (2 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 2/4885TGM2 1824/4885PDE7A 1079/4885
US-20110275647-A1 PYRIMIDIN-4-(3H)-ONE DERIVATIVES ABL1, JAK2, JAK1 MGAT2 4111/4885TGM2 4434/4885PDE7A 1606/4885

“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.