SCHEMBL2000313

SCHEMBL2000313

CC(=O)c1ccc2nc(Cl)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
DYRK1A Q13627 2/20 0.50
FSCN1 Q16658 1/20 0.50
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
GSK3B P49841 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL7492503 0.87 SMN1; SMN2 (0.53) NPC1RAB9ADYRK1AKMT2ASMN1; SMN2
SCHEMBL1036069 0.85 KDM4E (0.62) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1095256 0.85 SMN1; SMN2 (0.46) NPC1RAB9ADYRK1AFSCN1KMT2A
SCHEMBL1748004 0.84 SMN1; SMN2 (0.63) NPC1RAB9ADYRK1AFSCN1KMT2A
SCHEMBL2055271 0.83 DYRK1A (0.58) NPC1RAB9ADYRK1AFSCN1KMT2A
Hydrochloric Acid SCHEMBL7753018 0.83 KDM4E (0.60) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1983363 0.83 PIK3CA (0.64) NPC1RAB9AKMT2ASMN1; SMN2PIK3CA
SCHEMBL1748181 0.83 KMT2A (0.46) NPC1RAB9ADYRK1AFSCN1KMT2A
SCHEMBL23409082 0.81 NPC1 (0.52) NPC1RAB9ADYRK1ACDK5CDK5R1
SCHEMBL121976 0.81 RAB9A (0.52) NPC1RAB9ADYRK1ACDK5CDK5R1

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 NPC1 697/4885RAB9A 1423/4885DYRK1A 3216/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD NPC1 697/4885RAB9A 1423/4885DYRK1A 3216/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD NPC1 697/4885RAB9A 1423/4885DYRK1A 3216/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD NPC1 551/4885RAB9A 1869/4885DYRK1A 3278/4885

“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.