SCHEMBL2003572

SCHEMBL2003572

COc1cccc2sc(Oc3cc(Cl)cc(NC(=O)OC(C)(C)C)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
DUSP3 P51452 2/20 0.42
ALDH1A1 P00352 4/20 0.42
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
CHRM4 P08173 1/20 0.40
CTSD P07339 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PPARG P37231 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL2000936 0.90 LCK (0.42) ALDH1A1MEN1HPGDKMT2ALMNA
SCHEMBL2003618 0.90 AGPAT2 (0.46) ALDH1A1MEN1HPGDKMT2AMAPT
SCHEMBL12568203 0.84 CTSD (0.52) MAPTCTSDPPARGSMN1; SMN2CYP3A4
SCHEMBL1999982 0.82 NPC1 (0.45) DYRK1AALDH1A1MEN1HPGDKMT2A
SCHEMBL2001470 0.81 DYRK1A (0.44) DYRK1AMEN1KMT2AMAPTCTSD
SCHEMBL1997495 0.81 AGPAT2 (0.45) DYRK1ACTSDAGPAT2LCK
SCHEMBL2005135 0.79 LRRK2 (0.43) DYRK1AMEN1HPGDKMT2ALMNA
SCHEMBL1999579 0.79 LCK (0.44) DYRK1AALDH1A1MEN1HPGDKMT2A
SCHEMBL2004646 0.76 ALDH1A1 (0.52) DYRK1ADUSP3ALDH1A1TMIGD3ADORA1
SCHEMBL2002719 0.76 AGPAT2 (0.47) DYRK1ACTSDAGPAT2LCK

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 EP disclosed
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC 2004-09-09 US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 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
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 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 (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-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD DYRK1A 3216/4885DUSP3 816/4885ALDH1A1 3157/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD DYRK1A 3216/4885DUSP3 816/4885ALDH1A1 3157/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD DYRK1A 3216/4885DUSP3 816/4885ALDH1A1 3157/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD DYRK1A 3278/4885DUSP3 861/4885ALDH1A1 3192/4885

“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.