SCHEMBL4867046

SCHEMBL4867046

FC(F)(F)c1cccc(CNc2nc(C3CCCCC3)nc3ccccc23)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.73
APP P05067 6/20 0.65
USP1 O94782 4/20 0.52
WDR48 Q8TAF3 4/20 0.52
CCNE2 O96020 2/20 0.52
CCNE1 P24864 2/20 0.52
CDK2 P24941 2/20 0.52
OGG1 O15527 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
EGFR P00533 1/20 0.44
RAD52 P43351 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
SCHEMBL4866829 0.86 PDE5A (0.78) PDE5AAPPUSP1WDR48CCNE2
SCHEMBL4095293 0.85 PDE5A (1.00) PDE5AAPPUSP1WDR48OGG1
SCHEMBL4861326 0.81 PDE5A (0.73) PDE5AAPPOGG1MEN1KMT2A
SCHEMBL3645645 0.79 APP (0.65) PDE5AAPPCCNE2CCNE1CDK2
SCHEMBL5113671 0.79 APP (0.74) APPUSP1WDR48CCNE2CCNE1
SCHEMBL4866870 0.78 APP (0.73) APPUSP1WDR48CCNE2CCNE1
SCHEMBL4864021 0.78 APP (0.73) PDE5AAPPUSP1WDR48CCNE2
SCHEMBL5107781 0.77 APP (0.71) APPUSP1WDR48CCNE2CCNE1
SCHEMBL4894324 0.77 PDE5A (0.73) PDE5AAPPUSP1WDR48OGG1
SCHEMBL4856782 0.76 PDE5A (0.77) PDE5AAPPOGG1KMT2ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2008-08-28 US claimed
JP-2008526734-A 2008-07-24 JP claimed
EP-1844023-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2007-10-17 EP claimed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 WO claimed
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2008-08-28 US disclosed
EP-1844023-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2007-10-17 EP disclosed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 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-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY GPR119, GCKR, GLP1R PDE5A 204/4885APP 4386/4885USP1 2384/4885

“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.