SCHEMBL2000504

SCHEMBL2000504

Cc1ccc2ncc(O)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.54
CDK8 P49336 1/20 0.54
CLK2 P49760 1/20 0.54
CDK7 P50613 1/20 0.54
CDK9 P50750 1/20 0.54
CDK5 Q00535 1/20 0.54
ACVR1 Q04771 1/20 0.54
ROCK1 Q13464 1/20 0.54
DYRK1A Q13627 1/20 0.54
LRRK2 Q5S007 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 4/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TRPA1 O75762 1/20 0.41
NCK1 P16333 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
SCHEMBL5543038 0.84 ALDH1A1 (0.50) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL5537413 0.84 CYP1A2 (0.57) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL4572536 0.83 CYP1A2 (0.65) ALDH1A1CYP1A2MEN1KMT2ANCK1
Methane SCHEMBL27619416 0.82 CYP1A2 (0.55) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL163889 0.76 MAP4K4 (0.54) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL164336 0.76 DYRK1A (0.54) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL21988901 0.76 MAP4K4 (0.54) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL2224981 0.76 MAP4K4 (0.54) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL24261121 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2NPC1RAB9AMEN1
SCHEMBL5509853 0.76 ALDH1A1 (0.50) DYRK1AALDH1A1CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986220-A Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2024-05-07 CN disclosed
CN-114222734-B Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2023-12-08 CN disclosed
CN-114222734-A Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2022-03-22 CN disclosed
EP-1192137-B1 COMPOUNDS FOR THE MODULATION OF PPAR-GAMMA ACTIVITY AMGEN INC (US) 2013-10-23 EP disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7968567-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2011-06-28 US disclosed
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-6770648-B2 ANTIDIABETIC AGENTS TULARIK INC. 2004-08-03 US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 US disclosed
US-20030139390-A1 Compounds for the modulation of PPARgamma activity TULARIK INC. 2003-07-24 US disclosed
US-6583157-B2 Peroxisome proliferator-activated receptors antagonists; antiinflammatory agents and treating metabolic disorders TULARIK INC. 2003-06-24 US disclosed
EP-1296967-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS Tularik Inc. (US) 2003-04-02 EP disclosed
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 US disclosed
EP-1192137-A1 COMPOUNDS FOR THE MODULATION OF PPAR$g(g) ACTIVITY Tularik Inc. (US) 2002-04-03 EP disclosed
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 WO disclosed
WO-2001000579-A1 COMPOUNDS FOR THE MODULATION OF PPARη ACTIVITY TULARIK INC. (US) 2001-01-04 WO disclosed
US-5442065-A Antitumor agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-08-15 US 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 (5 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-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD MAP4K4 1853/4885CDK8 1687/4885CLK2 2759/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD MAP4K4 1263/4885CDK8 2452/4885CLK2 2638/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD MAP4K4 1263/4885CDK8 2452/4885CLK2 2638/4885
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET MAP4K4 140/4885CDK8 354/4885CLK2 628/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 MAP4K4 129/4885CDK8 262/4885CLK2 593/4885

“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.