SCHEMBL14486803

SCHEMBL14486803

Cc1nc(-c2cccc(CSc3ncc(OC4CCCCO4)c(=O)[nH]3)c2)no1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 6/20 0.63
▸ HCRTR1 O43613 4/20 0.42
▸ HCRTR2 O43614 4/20 0.42
▸ SLC6A4 P31645 1/20 0.41
▸ ACMSD Q8TDX5 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SPR P35270 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL14486209 0.85 TP53 (0.52) DAOTP53HPGDMEN1MAPT
SCHEMBL14486392 0.82 DAO (0.51) DAOTP53L3MBTL1ALDH1A1
SCHEMBL14485879 0.82 DAO (0.58) DAOTP53MAPTL3MBTL1
SCHEMBL14486303 0.82 DAO (0.55) DAOTP53HPGDSPRL3MBTL1
SCHEMBL14486402 0.82 DAO (0.55) DAOMEN1KMT2AL3MBTL1
SCHEMBL16001134 0.80 MMP13 (0.49) DAOTP53HPGDMEN1MAPT
SCHEMBL16001142 0.80 DAO (0.58) DAOMEN1KMT2AALDH1A1
SCHEMBL14486312 0.80 DAO (0.55) DAOTP53HPGDALDH1A1
SCHEMBL14486090 0.79 DAO (0.59) DAOHCRTR1HCRTR2ACMSDTP53
SCHEMBL14486084 0.78 DAO (0.53) DAOHPGDL3MBTL1

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 DAO 934/4885HCRTR1 3200/4885HCRTR2 3529/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD DAO 934/4885HCRTR1 3200/4885HCRTR2 3529/4885

“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.

Send feedback