SCHEMBL2000936

SCHEMBL2000936

CC(C)(C)OC(=O)Nc1cc(Cl)cc(Oc2nc3c(Cl)cccc3s2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.42
CTSD P07339 1/20 0.40
AGPAT2 O15120 1/20 0.39
POLA1 P09884 1/20 0.38
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.36
CDK1 P06493 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR8 Q9NR97 1/20 0.34
ALOX5 P09917 1/20 0.34
EPHX2 P34913 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CHRM5 P08912 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2003618 0.91 AGPAT2 (0.46) LCKCTSDAGPAT2KMT2AALOX5
SCHEMBL2003572 0.90 DYRK1A (0.44) LCKCTSDAGPAT2GAAKMT2A
SCHEMBL12568203 0.86 CTSD (0.52) LCKCTSDALOX5EPHX2MAPT
SCHEMBL1999579 0.82 LCK (0.44) LCKCTSDKMT2AMEN1ALDH1A1
SCHEMBL2001470 0.82 DYRK1A (0.44) LCKCTSDKMT2AMEN1MAPT
SCHEMBL1997495 0.82 AGPAT2 (0.45) LCKCTSDAGPAT2
SCHEMBL2005135 0.80 LRRK2 (0.43) LCKCTSDGAAKMT2AEPHX2
SCHEMBL1999982 0.80 NPC1 (0.45) CTSDGAAKMT2ATSHRMEN1
SCHEMBL2002719 0.78 AGPAT2 (0.47) LCKCTSDAGPAT2
SCHEMBL2000542 0.77 PPARA (0.44) LCKCTSDAGPAT2ALOX5EPHX2

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 LCK 2880/4885CTSD 3410/4885AGPAT2 446/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD LCK 2880/4885CTSD 3410/4885AGPAT2 446/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD LCK 2880/4885CTSD 3410/4885AGPAT2 446/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD LCK 2698/4885CTSD 3188/4885AGPAT2 425/4885

“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.