SCHEMBL14554707

SCHEMBL14554707

CC(Sc1ncc(OC2CCCCO2)c(=O)[nH]1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.52
▸ CXCR2 P25025 1/20 0.42
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SLC6A3 Q01959 2/20 0.34
▸ PLK1 P53350 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ KDM6B O15054 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ KDM4D Q6B0I6 1/20 0.31
▸ KDM3B Q7LBC6 1/20 0.31
▸ HIF1AN Q9NWT6 1/20 0.31
▸ KDM2A Q9Y2K7 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ PDE9A O76083 1/20 0.31

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 0.82 DAO (0.51) DAOCXCR2LMNAALDH1A1TP53
SCHEMBL14486330 0.81 KDM6B (0.49) DAOLMNAALDH1A1TP53RAB9A
SCHEMBL14486064 0.77 LMNA (0.42) DAOLMNAALDH1A1TP53RAB9A
SCHEMBL16001144 0.77 HPGD (0.38) DAOLMNAALDH1A1TP53RAB9A
SCHEMBL16001134 0.77 MMP13 (0.49) DAOLMNAPOLBALDH1A1TP53
SCHEMBL14486051 0.77 KDM6B (0.49) DAOLMNAPOLBALDH1A1TP53
SCHEMBL14485964 0.77 HPGD (0.50) DAOLMNAPOLBALDH1A1MAPK1
SCHEMBL14485986 0.76 DAO (0.50) DAOALDH1A1TP53RAB9AKDM4C
SCHEMBL14486459 0.76 PLA2G7 (0.47) DAOLMNAALDH1A1TP53RAB9A
SCHEMBL14485971 0.75 DAO (0.43) DAOLMNAALDH1A1TP53RAB9A

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 7 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
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 934/4885CXCR2 229/4885LMNA 3191/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD DAO 934/4885CXCR2 229/4885LMNA 3191/4885

“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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