SCHEMBL4422172

SCHEMBL4422172

NCc1c(N)nc2ccccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.67
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
APP P05067 2/20 0.45
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TNKS O95271 1/20 0.41
GUSB P08236 1/20 0.41

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
SCHEMBL6220647 0.89 DPP4 (0.59) DPP4ADORA2AKDM4EMAPTL3MBTL1
SCHEMBL4419602 0.85 DPP4 (0.56) DPP4ADORA3ADORA2AAPPKDM4E
SCHEMBL4430115 0.84 DPP4 (0.62) DPP4ADORA3ADORA2ACYP3A4KDM4E
SCHEMBL4423802 0.81 DPP4 (1.00) DPP4CYP3A4GUSB
SCHEMBL4417855 0.79 DPP4 (0.76) DPP4CYP3A4L3MBTL1GUSBTLR8
SCHEMBL6222369 0.79 ADORA2A (0.57) DPP4ADORA2AKDM4EMEN1ALDH1A1
SCHEMBL601715 0.77 L3MBTL1 (0.57) KDM4ENPC1RAB9ALMNAGAA
SCHEMBL29446766 0.77 L3MBTL1 (0.57) KDM4ENPC1RAB9ALMNAGAA
SCHEMBL3369015 0.76 DPP4 (0.63) DPP4CYP3A4KDM4EMEN1ALDH1A1
SCHEMBL6221719 0.75 DPP4 (0.49) DPP4CYP3A4KDM4EMAPTLMNA

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 1/4885ADORA3 566/4885ADORA2A 1745/4885

“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.