SCHEMBL1310306

SCHEMBL1310306

CC(C)(C)OC(=O)N1CCc2nc(SCc3ccnnc3)n(-c3ccccc3)c(=O)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 5/20 0.45
TGM2 P21980 1/20 0.43
PDE10A Q9Y233 1/20 0.39
PDE7A Q13946 3/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.38
BRCA1 P38398 1/20 0.38
P2RX3 P56373 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 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
SCHEMBL1312830 0.91 MGAT2 (0.47) MGAT2TGM2PDE10APDE7AMAPT
SCHEMBL1311942 0.90 MGAT2 (0.55) MGAT2TGM2PDE10APDE7AMAPT
SCHEMBL3301786 0.83 MGAT2 (0.49) MGAT2TGM2PDE10AMAPTALDH1A1
SCHEMBL16005975 0.79 MGAT2 (0.64) MGAT2TGM2PDE10AMAPTP2RX3
SCHEMBL12117474 0.78 PDE7A (0.48) MGAT2PDE7AMAPTALDH1A1BRCA1
SCHEMBL1310309 0.76 PDE7A (0.40) MGAT2PDE7AMAPTALDH1A1BRCA1
SCHEMBL3296988 0.75 PARP1 (0.48) MGAT2TGM2MAPTALDH1A1P2RX3
SCHEMBL12117475 0.75 PDE7A (0.46) MGAT2PDE7AMAPTALDH1A1BRCA1
SCHEMBL3303490 0.74 PARP1 (0.41) MGAT2TGM2PDE10AMAPTP2RX3
SCHEMBL3297765 0.71 PRLHR (0.47) MGAT2PDE10AMAPTALDH1A1P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20110275647-A1 PYRIMIDIN-4-(3H)-ONE DERIVATIVES ABL1, JAK2, JAK1 MGAT2 4111/4885TGM2 4434/4885PDE10A 1784/4885

“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.