SCHEMBL1310309

SCHEMBL1310309

CC(C)(C)C1c2c(nc(SCc3ccnnc3)n(-c3ccccc3)c2=O)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 5/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MGAT2 Q10469 1/20 0.38
ALDH1A1 P00352 5/20 0.38
BRCA1 P38398 1/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PDE11A Q9HCR9 2/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
PDE7B Q9NP56 1/20 0.35
PDE2A O00408 1/20 0.35
PDE1B Q01064 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1312831 0.90 PDE7A (0.47) PDE7AKMT2AMEN1ALDH1A1BRCA1
SCHEMBL1311943 0.90 PDE7A (0.53) PDE7AKMT2AMEN1MGAT2ALDH1A1
SCHEMBL1310306 0.76 MGAT2 (0.45) PDE7AKMT2AMEN1MGAT2ALDH1A1
SCHEMBL12117474 0.74 PDE7A (0.48) PDE7AKMT2AMEN1MGAT2ALDH1A1
SCHEMBL12117475 0.72 PDE7A (0.46) PDE7AKMT2AMEN1MGAT2ALDH1A1
Hydrochloric Acid SCHEMBL1313492 0.71 PDE7A (0.45) PDE7AKMT2AMEN1MGAT2ALDH1A1
SCHEMBL12117149 0.66 MGAT2 (0.62) PDE7AMGAT2ALDH1A1MAPTLMNA
SCHEMBL1311942 0.66 MGAT2 (0.55) PDE7AKMT2AMEN1MGAT2ALDH1A1
SCHEMBL1312830 0.65 MGAT2 (0.47) PDE7AKMT2AMEN1MGAT2ALDH1A1
SCHEMBL1310572 0.65 MGAT2 (0.75) PDE7AMGAT2ALDH1A1MAPTLMNA

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 3 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
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 PDE7A 1606/4885KMT2A 2014/4885MEN1 1179/4885

“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.