SCHEMBL14486209

SCHEMBL14486209

Cc1cccc(CSc2ncc(OC3CCCCO3)c(=O)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.52
▸ HPGD P15428 4/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ DAO P14920 7/20 0.43
▸ BRD4 O60885 1/20 0.41
▸ PLA2G7 Q13093 1/20 0.39
▸ KDM6B O15054 1/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ HIF1AN Q9NWT6 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ KDM2A Q9Y2K7 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL16001134 0.89 MMP13 (0.49) TP53HPGDMEN1MAPTKMT2A
SCHEMBL14486392 0.89 DAO (0.51) TP53ALDH1A1SMN1; SMN2DAOPLA2G7
SCHEMBL14485879 0.89 DAO (0.58) TP53MAPTSMN1; SMN2KDM4EDAO
SCHEMBL14486402 0.89 DAO (0.55) MEN1KMT2ADAOPLA2G7
SCHEMBL14486303 0.89 DAO (0.55) TP53HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL16001142 0.87 DAO (0.58) MEN1KMT2AALDH1A1DAOKDM6B
SCHEMBL14486090 0.86 DAO (0.59) TP53HPGDDAOPLA2G7KDM6B
SCHEMBL14486319 0.85 HPGD (0.35) TP53HPGDMEN1MAPTKMT2A
SCHEMBL14486312 0.85 DAO (0.55) TP53HPGDALDH1A1DAOPLA2G7
SCHEMBL14486803 0.85 DAO (0.63) TP53HPGDMEN1MAPTKMT2A

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 TP53 2578/4885HPGD 862/4885MEN1 735/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD TP53 2578/4885HPGD 862/4885MEN1 735/4885

“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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