SCHEMBL14486302

SCHEMBL14486302

O=c1[nH]c(SCc2ccccn2)ncc1O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 16/20 0.68
GLA P06280 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL14486273 0.81 DAO (1.00) DAO
SCHEMBL14485993 0.80 DAO (0.56) DAOGLALMNA
SCHEMBL14486306 0.77 DAO (0.76) DAO
SCHEMBL14485917 0.77 DAO (0.67) DAOLMNACYP1A2CYP2D6CYP2C9
SCHEMBL14486223 0.77 DAO (1.00) DAO
SCHEMBL14485880 0.76 DAO (0.61) DAO
SCHEMBL14488187 0.75 DAO (0.58) DAOLMNAKDM4E
SCHEMBL14486127 0.75 DAO (0.64) DAO
SCHEMBL14486325 0.75 DAO (1.00) DAO
SCHEMBL14486534 0.74 DAO (0.76) 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 934/4885GLA 3208/4885LMNA 3191/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD DAO 934/4885GLA 3208/4885LMNA 3191/4885

“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.