SCHEMBL14485986

SCHEMBL14485986

O=c1[nH]c(CSc2ccccc2)ncc1OC1CCCCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.50
▸ RAB9A P51151 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.35
▸ PDE8B O95263 1/20 0.35
▸ DHFR P00374 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ ZAP70 P43403 1/20 0.32
▸ SYK P43405 1/20 0.32

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 0.84 DAO (0.51) DAORAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL14486125 0.83 DAO (0.50) DAORAB9AALDH1A1TP53KDM4C
SCHEMBL14485919 0.83 DAO (0.48) DAOKDM4CDHFR
SCHEMBL14486330 0.80 KDM6B (0.49) DAORAB9AALDH1A1TP53MAPK1
SCHEMBL14486064 0.79 LMNA (0.42) DAORAB9AALDH1A1TP53KDM4C
SCHEMBL14485964 0.78 HPGD (0.50) DAOALDH1A1MAPK1MEN1KMT2A
SCHEMBL14486459 0.77 PLA2G7 (0.47) DAORAB9AALDH1A1TP53CYP2C9
SCHEMBL14486178 0.77 ALDH1A1 (0.43) DAORAB9AALDH1A1TP53MAPK1
SCHEMBL14486312 0.77 DAO (0.55) DAORAB9AALDH1A1TP53KDM4C
SCHEMBL16001144 0.77 HPGD (0.38) DAORAB9AALDH1A1TP53MAPK1

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 934/4885RAB9A 1657/4885ALDH1A1 162/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD DAO 934/4885RAB9A 1657/4885ALDH1A1 162/4885

“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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