SCHEMBL609085

SCHEMBL609085

COc1ncc(Br)nc1OC

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 16/20 0.45
EDNRA P25101 4/20 0.42
CCR5 P51681 1/20 0.41

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
SCHEMBL30416654 1.00 CCR4 (0.45) CCR4EDNRACCR5
SCHEMBL29749999 0.84 CCR4 (0.41) CCR4EDNRACCR5
SCHEMBL376592 0.84 CCR4 (0.41) CCR4EDNRACCR5
SCHEMBL29364914 0.82 CCR4 (0.43) CCR4EDNRACCR5
SCHEMBL68083 0.82 CCR4 (0.43) CCR4EDNRACCR5
SCHEMBL14970085 0.82 CCR4 (0.43) CCR4EDNRACCR5
SCHEMBL10085406 0.82 CCR4 (0.40) CCR4EDNRACCR5
SCHEMBL23214021 0.81 CCR4 (0.37) CCR4EDNRACCR5
SCHEMBL29844738 0.81 CCR4 (0.37) CCR4EDNRACCR5
SCHEMBL24722371 0.81 CCR4 (0.40) CCR4EDNRACCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528822-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-01-20 US disclosed
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 EP disclosed
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 EP disclosed
US-20240043386-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL ENTPR LTD (BM) 2024-02-08 US disclosed
US-11702430-B2 Aza-benzothiophene compounds as STING agonists MERCK SHARP & DOHME LLC (US) 2023-07-18 US disclosed
US-11702430-B2 Aza-benzothiophene compounds as STING agonists MERCK SHARP & DOHME LLC (US) 2023-07-18 US disclosed
US-11702430-B2 Aza-benzothiophene compounds as STING agonists MERCK SHARP & DOHME LLC (US) 2023-07-18 US disclosed
US-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-08 US disclosed
CN-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 CN disclosed
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-03-09 US disclosed
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
EP-2398810-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2011-12-28 EP disclosed
WO-2011005636-A1 TETRAHYDRONAPTHYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-01-13 WO disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 WO disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 WO disclosed
US-5011847-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1991-04-30 US disclosed
US-5001123-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1991-03-19 US disclosed
EP-0402156-A1 New 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 EP disclosed
EP-0402155-A1 New 2,5-diaryl tetrahydrofurans and analogs therof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 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 (6 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-20240043386-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SLC47A2 CCR4 2267/4885EDNRA 237/4885CCR5 671/4885
US-11702430-B2 Aza-benzothiophene compounds as STING agonists STING1, IRF3, CGAS CCR4 2227/4885EDNRA 691/4885CCR5 888/4885
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIK3CG CCR4 4558/4885EDNRA 4029/4885CCR5 3571/4885
US-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PARK7, SNCA, RHOT2 CCR4 4779/4885EDNRA 1346/4885CCR5 4076/4885
US-12528822-B2 Cycloalkane-1,3-diamine derivative MLLT1, MLLT3, PRMT6 CCR4 679/4885EDNRA 3291/4885CCR5 1279/4885
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 CCR4 2381/4885EDNRA 1926/4885CCR5 2335/4885

“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.