SCHEMBL3319793

SCHEMBL3319793

N#Cc1c(N)nc2ccc(Cl)cc2c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.56
ADORA1 P30542 8/20 0.56
HSD17B10 Q99714 4/20 0.54
ADRA2A P08913 2/20 0.54
HTT P42858 2/20 0.54
ADORA2B P29275 2/20 0.50
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
CDK5 Q00535 1/20 0.48
DYRK1A Q13627 1/20 0.48
CDK5R1 Q15078 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL14916454 0.87 FABP4 (0.49) ADORA2AADORA1HTTADORA2BKDM4E
SCHEMBL6223681 0.85 KDM4E (0.56) ADORA2AADORA1HSD17B10KDM4EALDH1A1
SCHEMBL6222369 0.84 ADORA2A (0.57) ADORA2AADORA1HSD17B10ADRA2AHTT
SCHEMBL28823862 0.83 FABP4 (0.54) ADORA2AHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4436700 0.83 ADORA2A (0.60) ADORA2AADORA1HSD17B10ADRA2AHTT
SCHEMBL6222236 0.83 SMN1; SMN2 (0.50) ADORA2AADORA1HSD17B10KDM4EALDH1A1
SCHEMBL13361709 0.82 FABP4 (0.52) ADORA2AHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6222824 0.81 ADORA2A (0.49) ADORA2AADORA1HSD17B10ADRA2AHTT
SCHEMBL4430115 0.80 DPP4 (0.62) ADORA2AKDM4EFABP3FABP4DYRK1A
SCHEMBL6222062 0.79 ADORA2A (0.45) ADORA2AADORA1HSD17B10HTTADORA2B

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
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO claimed
US-8865739-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-10-21 US disclosed
US-8865739-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-10-21 US disclosed
US-8865739-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-10-21 US disclosed
US-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-04-17 US disclosed
US-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-04-17 US disclosed
US-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-04-17 US disclosed
US-8664399-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-8664399-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-8664399-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US disclosed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US disclosed
CN-1308311-C Novel pyridine- and quinoline-derivatives HOFFMANN LA ROCHE (CH) 2007-04-04 CN disclosed
EP-1476429-B1 NOVEL PYRIDINE- AND QUINOLINE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-11-16 EP disclosed
CN-1630639-A novel pyridine-and quinoline-derivatives HOFFMANN LA ROCHE (CH) 2005-06-22 CN disclosed
EP-1476429-A1 NOVEL PYRIDINE- AND QUINOLINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP disclosed
WO-2003068748-A9 NOVEL PYRIDINE- AND QUINOLINE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 WO disclosed
US-6800650-B2 FOR THERAPY AND PROPHYLAXIS OF DIABETES, PARTICULARLY NON-INSULIN DEPENDENT DIABETES MELLITUS AND IMPAIRED GLUCOSE TOLERANCE. HOFFMANN-LA ROCHE INC. 2004-10-05 US disclosed
US-20030195188-A1 Pyridine and quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-10-16 US disclosed
WO-2003068748-A1 NOVEL PYRIDINE- AND QUINOLINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 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 (3 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-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E ADORA2A 739/4885ADORA1 327/4885HSD17B10 2947/4885
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E ADORA2A 739/4885ADORA1 327/4885HSD17B10 2947/4885
US-20030195188-A1 Pyridine and quinoline derivatives DPP4, DPP3, DPP7 ADORA2A 1745/4885ADORA1 458/4885HSD17B10 922/4885

“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.