SCHEMBL14486202

SCHEMBL14486202

O=c1[nH]c(SCc2ccc(F)c(F)c2)ncc1OC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 12/20 0.40
▸ PLA2G7 Q13093 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HPGD P15428 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KDM6B O15054 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.35
▸ HIF1AN Q9NWT6 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ KDM2A Q9Y2K7 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
SCHEMBL14485836 0.90 DAO (0.37) DAOPLA2G7MAPTHPGDCYP1A2
SCHEMBL14486395 0.88 DAO (0.53) DAOPLA2G7MAPTHPGDCYP1A2
SCHEMBL14486303 0.88 DAO (0.55) DAOHPGDLMNAKDM6BKDM4A
SCHEMBL16001134 0.86 MMP13 (0.49) DAOPLA2G7MAPTHPGDCYP1A2
SCHEMBL14486392 0.86 DAO (0.51) DAOPLA2G7LMNAKDM6BKDM4A
SCHEMBL14486312 0.86 DAO (0.55) DAOPLA2G7HPGDCYP1A2CYP2C9
SCHEMBL14486402 0.86 DAO (0.55) DAOPLA2G7LMNA
SCHEMBL14486459 0.85 PLA2G7 (0.47) DAOPLA2G7MAPTHPGDCYP1A2
SCHEMBL14485757 0.85 DAO (0.56) DAOPLA2G7MAPTHPGDCYP1A2
SCHEMBL14485971 0.85 DAO (0.43) DAOPLA2G7MAPTHPGDCYP1A2

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 9 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
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 934/4885PLA2G7 1645/4885MAPT 3597/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD DAO 934/4885PLA2G7 1645/4885MAPT 3597/4885

“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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