SCHEMBL14488187

SCHEMBL14488187

O=c1[nH]c(SCc2cn3ccccc3n2)ncc1O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.58
PKM P14618 3/20 0.58
KDM4E B2RXH2 1/20 0.58
RAB9A P51151 9/20 0.57
NPC1 O15118 8/20 0.57
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE10A Q9Y233 1/20 0.47

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
SCHEMBL16673698 0.76 PDE10A (0.41) DAOPKMKDM4ERAB9ANPC1
SCHEMBL14486302 0.75 DAO (0.68) DAOKDM4ELMNA
SCHEMBL14554731 0.75 PKM (0.48) PKMKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL14488513 0.75 KDM4E (0.46) PKMKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL14488071 0.74 DAO (1.00) DAO
SCHEMBL14486273 0.73 DAO (1.00) DAO
SCHEMBL6035011 0.73 PKM (0.56) PKMKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL10666500 0.72 NPC1 (1.00) PKMKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL14486127 0.70 DAO (0.64) DAOMEN1KMT2A
SCHEMBL14486325 0.70 DAO (1.00) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10085986-B2 Pyrimidinone compounds and their use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-02 US claimed
EP-2729453-B1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL (JP) 2015-05-06 EP claimed
US-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-04 US claimed
EP-2729453-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE Takeda Pharmaceutical Company Limited (JP) 2014-05-14 EP claimed
WO-2013004995-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-10 WO claimed
US-10085986-B2 Pyrimidinone compounds and their use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-02 US disclosed
EP-2729453-B1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL (JP) 2015-05-06 EP disclosed
EP-2729453-B1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL (JP) 2015-05-06 EP disclosed
US-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-04 US disclosed
US-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-04 US disclosed
US-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-04 US disclosed
EP-2729453-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE Takeda Pharmaceutical Company Limited (JP) 2014-05-14 EP disclosed
WO-2013004995-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-10 WO disclosed
WO-2013004995-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-10 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 (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-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TPMT, DHFR, DPYD DAO 934/4885PKM 238/4885KDM4E 790/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD DAO 934/4885PKM 238/4885KDM4E 790/4885

“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.