SCHEMBL4430115

SCHEMBL4430115

NCc1c(N)nc2ccc(Cl)cc2c1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.62
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.51
FABP4 P15090 4/20 0.48
FABP3 P05413 3/20 0.48
FABP5 Q01469 3/20 0.48
MAPT P10636 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
GAA P10253 1/20 0.45
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
LCK P06239 1/20 0.44
CSF1R P07333 1/20 0.44
PIM1 P11309 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK1 P28482 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
SCHEMBL4421292 0.85 DPP4 (0.73) DPP4KDM4ECYP3A4ADORA3ADORA2A
SCHEMBL4422172 0.84 DPP4 (0.67) DPP4KDM4ECYP3A4MAPTADORA3
SCHEMBL28823862 0.83 FABP4 (0.54) KDM4EFABP4FABP3FABP5MAPT
SCHEMBL4427554 0.83 DPP4 (0.62) DPP4CYP3A4ADORA3ADORA2A
SCHEMBL13361709 0.82 FABP4 (0.52) KDM4EFABP4FABP3FABP5MAPT
SCHEMBL6220647 0.82 DPP4 (0.59) DPP4KDM4EMAPTADORA2AESR1
SCHEMBL27288805 0.81 TLR8 (0.53) DPP4KDM4EFABP4FABP3FABP5
SCHEMBL3319793 0.80 ADORA2A (0.56) KDM4EFABP4FABP3MAPTADORA2A
SCHEMBL4419836 0.80 DPP4 (0.54) DPP4FABP4FABP5ESR1
SCHEMBL3904386 0.79 DPP4 (0.74) DPP4KDM4EFABP4FABP3FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4216197-B2 2009-01-28 JP claimed
EP-1476429-B1 NOVEL PYRIDINE- AND QUINOLINE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-11-16 EP claimed
JP-2005526034-A 2005-09-02 JP claimed
EP-1476429-A1 NOVEL PYRIDINE- AND QUINOLINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP claimed
WO-2003068748-A9 NOVEL PYRIDINE- AND QUINOLINE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 WO claimed
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 claimed
US-20030195188-A1 Pyridine and quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-10-16 US claimed
WO-2003068748-A1 NOVEL PYRIDINE- AND QUINOLINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 WO claimed
EP-1476429-B1 NOVEL PYRIDINE- AND QUINOLINE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-11-16 EP 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
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 (1 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-20030195188-A1 Pyridine and quinoline derivatives DPP4, DPP3, DPP7 DPP4 1/4885KDM4E 982/4885CYP3A4 17/4885

“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.