SCHEMBL2000481

SCHEMBL2000481

COc1ccc2nc(Oc3c(Cl)cc(N)cc3Cl)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
APP P05067 4/20 0.52
PDK1 Q15118 1/20 0.48
SCD O00767 1/20 0.45
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
ILK Q13418 1/20 0.44
HTT P42858 1/20 0.42
DYRK1A Q13627 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CASP2 P42575 1/20 0.42

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
SCHEMBL2001392 0.84 NPC1 (0.59) CYP1A2CYP3A4CYP2C19APPMAPT
SCHEMBL2000059 0.84 APP (0.48) APPMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2001182 0.84 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19APPPDK1
SCHEMBL4730485 0.74 APP (0.66) CYP1A2CYP3A4CYP2C19APPILK
SCHEMBL18612365 0.74 AURKB (0.48) CYP1A2CYP3A4CYP2C19APPPDK1
SCHEMBL2002706 0.73 ALDH1A1 (0.55) CYP3A4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13586910 0.73 PPARG (0.47) CYP3A4APPSCDNPC1RAB9A
SCHEMBL29683488 0.73 CYP3A4 (1.00) CYP1A2CYP3A4CYP2C19APPPDK1
SCHEMBL144993 0.73 KMT2A (0.69) CYP1A2CYP3A4CYP2C19APPPDK1
SCHEMBL22358 0.73 CYP3A4 (1.00) CYP1A2CYP3A4CYP2C19APPPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY AMGEN INC. (US) 2010-05-06 US disclosed
US-7626033-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2009-12-01 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
US-20060264481-A1 Therapeutic modulation of PPARgamma activity AMGEN INC. (US) 2006-11-23 US disclosed
EP-1722789-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY Amgen Inc. (US) 2006-11-22 EP disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 EP disclosed
US-7041691-B1 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2006-05-09 US disclosed
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC 2004-09-09 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

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-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD CYP1A2 1122/4885CYP3A4 1649/4885CYP2C19 2111/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD CYP1A2 910/4885CYP3A4 1153/4885CYP2C19 1313/4885
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD CYP1A2 1193/4885CYP3A4 675/4885CYP2C19 1515/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD CYP1A2 907/4885CYP3A4 1165/4885CYP2C19 1416/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD CYP1A2 1193/4885CYP3A4 675/4885CYP2C19 1515/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD CYP1A2 1193/4885CYP3A4 675/4885CYP2C19 1515/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD CYP1A2 1324/4885CYP3A4 772/4885CYP2C19 1845/4885

“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.