SCHEMBL6263720

SCHEMBL6263720

CCCCCc1c(CN)c(N)nc2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 18/20 0.82
TLR7 Q9NYK1 2/20 0.53
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL18554007 0.90 TLR8 (1.00) TLR8TLR7KDM4EALDH1A1GAA
SCHEMBL18553992 0.89 TLR8 (1.00) TLR8TLR7
Hydrochloric Acid SCHEMBL18554031 0.89 TLR8 (1.00) TLR8TLR7KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL18554051 0.87 TLR8 (1.00) TLR8TLR7
SCHEMBL16836314 0.87 TLR8 (0.79) TLR8TLR7KDM4EALDH1A1GAA
SCHEMBL16836321 0.86 TLR8 (0.74) TLR8TLR7
SCHEMBL18593892 0.84 TLR8 (1.00) TLR8TLR7
SCHEMBL16836395 0.83 TLR8 (0.74) TLR8TLR7KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL18554099 0.83 TLR8 (0.79) TLR8TLR7KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL18554050 0.83 TLR8 (1.00) TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 TLR8 3182/4885TLR7 996/4885KDM4E 982/4885

“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.