SCHEMBL129062

SCHEMBL129062

[c]1cccc2c1CCCS2

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL366355 0.88
SCHEMBL519189 0.72 RYR2 (0.53)
SCHEMBL131098 0.68 TSHR (0.36)
SCHEMBL24682 0.66
SCHEMBL1267700 0.66 RYR2 (0.50) HPGDNPSR1
SCHEMBL8890 0.66 TSHR (0.48) HPGD
SCHEMBL30118876 0.66 RYR2 (0.50) HPGDNPSR1
SCHEMBL130168 0.66 RYR2 (0.50) HPGDNPSR1
SCHEMBL2160748 0.65 HPGD (0.47) HPGDNPSR1
SCHEMBL14722145 0.64 HSD17B3 (0.36) HPGD

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024010015-A1 PYRIMIDINE DERIVATIVES あすか製薬株式会社 2024-01-11 WO disclosed
CN-108137513-B Pyrimidine derivatives ASKA 制药株式会社 2022-03-01 CN disclosed
EP-3372589-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2021-10-20 EP disclosed
US-10710967-B2 Pyrimidine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2020-07-14 US disclosed
US-20200071280-A1 PYRIMIDINE DERIVATIVE ASKA PHARMACEUTICAL CO., LTD. (JP) 2020-03-05 US disclosed
EP-3372589-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2018-09-12 EP disclosed
US-20160257651-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY JUNTENDO EDUCATIONAL FOUNDATION (JP) 2016-09-08 US disclosed
EP-2987787-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY Juntendo Educational Foundation (JP) 2016-02-24 EP disclosed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP disclosed
US-20030186998-A1 Methods for treatment of disorders of cardiac contractility JOHN HOPKINS UNIVERSITY 2003-10-02 US disclosed
US-6569862-B1 Adminstering xanthine oxidase inhibitor such as allopurinol JOHNS HOPKINS UNIVERSITY 2003-05-27 US disclosed
EP-1044002-A4 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY UNIV JOHNS HOPKINS (US) 2003-05-02 EP disclosed
US-6191136-B1 ADMINISTERING XANTHINE OXIDASE INHIBITOR JOHNS HOPKINS UNIVERSITY 2001-02-20 US disclosed
EP-1044002-A1 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY JOHNS HOPKINS UNIVERSITY (US) 2000-10-18 EP disclosed
WO-1999024038-A1 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY JOHNS HOPKINS UNIVERSITY (US) 1999-05-20 WO disclosed
EP-0269859-B2 Pyrazolotriazine compounds OTSUKA PHARMA CO LTD (JP) 1995-10-18 EP disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP 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 (4 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-20200071280-A1 PYRIMIDINE DERIVATIVE CXCR1, PTGS1, P2RY1 HPGD 44/4885NPSR1 949/4885
US-10710967-B2 Pyrimidine derivative CXCR1, PTGS1, P2RY1 HPGD 44/4885NPSR1 949/4885
US-20030186998-A1 Methods for treatment of disorders of cardiac contractility TNNI3, TNNT2, RYR2 HPGD 242/4885NPSR1 2422/4885
US-20160257651-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY SLC11A2, RELA, NFKBIA HPGD 1545/4885NPSR1 3816/4885

“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.