SCHEMBL2828291

SCHEMBL2828291

COCCn1cc(C(=O)O)cn1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
HCAR3 P49019 2/20 0.43
ALDH1A1 P00352 1/20 0.42
PLA2G4A P47712 1/20 0.40
HPGDS O60760 1/20 0.40
ALKBH2 Q6NS38 1/20 0.40
IKBKE Q14164 2/20 0.40
TBK1 Q9UHD2 2/20 0.40
ALKBH1 Q13686 3/20 0.39
EGLN1 Q9GZT9 2/20 0.39
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
JAK2 O60674 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 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
SCHEMBL18397011 0.87 L3MBTL1 (0.50) L3MBTL1ALDH1A1IKBKETBK1JAK1
SCHEMBL22064000 0.85 L3MBTL1 (0.49) L3MBTL1ALDH1A1IKBKETBK1JAK1
SCHEMBL28637007 0.85 L3MBTL1 (0.49) L3MBTL1ALDH1A1IKBKETBK1JAK1
SCHEMBL22183009 0.85 L3MBTL1 (0.49) L3MBTL1IKBKETBK1JAK1JAK3
SCHEMBL23535650 0.85 L3MBTL1 (0.50) L3MBTL1HCAR3ALDH1A1IKBKETBK1
SCHEMBL2824830 0.84 L3MBTL1 (0.56) L3MBTL1CYP4F2CYP4A11HCAR3ALDH1A1
SCHEMBL370482 0.83 L3MBTL1 (0.62) L3MBTL1CYP4F2CYP4A11PLA2G4AHPGDS
SCHEMBL18397398 0.83 L3MBTL1 (0.46) L3MBTL1IKBKETBK1JAK1JAK3
SCHEMBL2823114 0.81 L3MBTL1 (0.49) L3MBTL1ALDH1A1HSD17B10
SCHEMBL4240582 0.81 L3MBTL1 (1.00) L3MBTL1CYP4F2CYP4A11HCAR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP claimed
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP claimed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
US-11192899-B2 Quinoxaline derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-12-07 US claimed
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-11-30 US claimed
US-20200354375-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-11-12 US claimed
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-07-02 US claimed
EP-3672951-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP claimed
EP-3672952-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP claimed
EP-3661941-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-06-10 EP claimed
CN-110944994-A Quinoxaline derivatives as adenosine receptor antagonists 默克专利股份公司 2020-03-31 CN claimed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO claimed
WO-2019038214-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO claimed
WO-2019025099-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-07 WO claimed
EP-1773827-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-02-17 EP claimed
US-7371749-B2 Benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1773827-A1 BENZOTHIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-18 EP claimed
US-20060019949-A1 Benzothiazole derivatives HOFFMANN-LA ROCHE INC. 2006-01-26 US claimed
WO-2006008041-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-26 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20060019949-A1 Benzothiazole derivatives CNR2, CNR1, CHRNA2 L3MBTL1 1615/4885CYP4F2 566/4885CYP4A11 792/4885
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 L3MBTL1 3610/4885CYP4F2 2337/4885CYP4A11 2460/4885
US-20200354375-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA1, P2RY1 L3MBTL1 4006/4885CYP4F2 2115/4885CYP4A11 2578/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 L3MBTL1 3645/4885CYP4F2 2306/4885CYP4A11 2705/4885
US-11192899-B2 Quinoxaline derivatives as adenosine receptor antagonists ADORA2A, ADORA1, P2RY1 L3MBTL1 4006/4885CYP4F2 2115/4885CYP4A11 2578/4885
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists ADORA1, ADORA2A, AMPD2 L3MBTL1 4125/4885CYP4F2 2344/4885CYP4A11 2591/4885
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 L3MBTL1 3610/4885CYP4F2 2337/4885CYP4A11 2460/4885

“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.