SCHEMBL14486459

SCHEMBL14486459

O=c1[nH]c(SCc2ccncc2)ncc1OC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 6/20 0.47
▸ DAO P14920 4/20 0.40
▸ KDM6B O15054 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ KDM4D Q6B0I6 1/20 0.38
▸ HIF1AN Q9NWT6 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38
▸ HPGD P15428 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MMP13 P45452 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ HSD17B10 Q99714 2/20 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
SCHEMBL14486392 0.91 DAO (0.51) PLA2G7DAOKDM6BKDM4AKDM4D
SCHEMBL14486084 0.90 DAO (0.53) PLA2G7DAOKDM6BKDM4AKDM4D
SCHEMBL16001134 0.89 MMP13 (0.49) PLA2G7DAOKDM6BKDM4AKDM4D
SCHEMBL14486395 0.89 DAO (0.53) PLA2G7DAOKDM6BKDM4AKDM4D
SCHEMBL14485971 0.87 DAO (0.43) PLA2G7DAOHPGDCYP1A2CYP2C9
SCHEMBL14486202 0.85 DAO (0.40) PLA2G7DAOKDM6BKDM4AKDM4D
SCHEMBL14486064 0.85 LMNA (0.42) PLA2G7DAOKDM6BKDM4AKDM4D
SCHEMBL14486303 0.84 DAO (0.55) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL14486312 0.84 DAO (0.55) PLA2G7DAOKDM6BKDM4AKDM4D
SCHEMBL14486209 0.84 TP53 (0.52) PLA2G7DAOKDM6BKDM4AKDM4D

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 8 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 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

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 PLA2G7 1645/4885DAO 934/4885KDM6B 885/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD PLA2G7 1645/4885DAO 934/4885KDM6B 885/4885

“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.

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