SCHEMBL4427554

SCHEMBL4427554

NCc1c(N)nc2ccc(Cl)cc2c1-c1ccccc1F

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.62
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP3A4 P08684 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40

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 0.87 DPP4 (0.73) DPP4LMNASMN1; SMN2CYP3A4ADORA3
SCHEMBL4430115 0.83 DPP4 (0.62) DPP4CYP3A4ADORA3ADORA2A
SCHEMBL6222236 0.80 SMN1; SMN2 (0.50) LMNASMN1; SMN2ADORA3ADORA2AAPEX1
SCHEMBL4423802 0.77 DPP4 (1.00) DPP4CYP3A4CYP2C19KCNH2DPP8
SCHEMBL6223940 0.76 DPP4 (0.48) DPP4LMNASMN1; SMN2ADORA2ADPP8
SCHEMBL9161207 0.74 LMNA (0.48) LMNASMN1; SMN2CYP3A4APEX1CYP2C19
SCHEMBL4417855 0.73 DPP4 (0.76) DPP4CYP3A4CYP2C19KCNH2DPP8
SCHEMBL18227141 0.72 BACE1 (0.46) DPP4LMNASMN1; SMN2ADORA3ADORA2A
SCHEMBL8956069 0.71 LMNA (0.51) LMNASMN1; SMN2APEX1
SCHEMBL28160160 0.71 LMNA (0.57) LMNASMN1; SMN2

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 1/4885LMNA 4754/4885SMN1; SMN2 2905/4885

“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.