SCHEMBL4421301

SCHEMBL4421301

COc1ccccc1-c1c(CN)c(N)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.56
ADORA2A P29274 1/20 0.53
ALDH1A1 P00352 5/20 0.45
LMNA P02545 5/20 0.45
CYP1A2 P05177 5/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2D6 P10635 5/20 0.45
TSHR P16473 4/20 0.45
HSD17B10 Q99714 4/20 0.45
CYP2C19 P33261 3/20 0.45
USP2 O75604 3/20 0.45
ALOX15 P16050 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
C1R P00736 1/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ACHE P22303 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL30956246 0.79 ADORA2A (0.59) ADORA2AALDH1A1LMNACYP1A2CYP3A4
SCHEMBL10903923 0.79 ADORA2A (0.59) ADORA2AALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4417855 0.79 DPP4 (0.76) DPP4CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL6223729 0.77 ALDH1A1 (0.67) ADORA2AALDH1A1LMNACYP1A2CYP3A4
SCHEMBL28619071 0.76 ADORA2A (0.51) ADORA2AALDH1A1LMNACYP1A2CYP3A4
SCHEMBL6220647 0.76 DPP4 (0.59) DPP4ADORA2AKDM4EMAPK1SMN1; SMN2
SCHEMBL4419602 0.73 DPP4 (0.56) DPP4ADORA2AALDH1A1CYP1A2KDM4E
SCHEMBL27854357 0.73 ADORA2A (0.56) ADORA2AALDH1A1LMNACYP1A2CYP3A4
SCHEMBL2361373 0.73 CYP1A2 (0.65) ADORA2AALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4423802 0.72 DPP4 (1.00) DPP4CYP3A4CYP2C19ACHE

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 1/4885ADORA2A 1745/4885ALDH1A1 118/4885

“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.