SCHEMBL4864327

SCHEMBL4864327

c1ccc(CCCCNc2nc(C3CCCCC3)nc3ccccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.72
OGG1 O15527 1/20 0.55
GBA1 P04062 2/20 0.52
APP P05067 9/20 0.51
BCHE P06276 5/20 0.51
ACHE P22303 5/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
CASP6 P55212 1/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 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
SCHEMBL4856782 0.91 PDE5A (0.77) PDE5AOGG1GBA1APPBCHE
SCHEMBL4095293 0.84 PDE5A (1.00) PDE5AOGG1GBA1APPBCHE
SCHEMBL4867110 0.83 PDE5A (0.70) PDE5AOGG1GBA1APPMAPK1
SCHEMBL4864401 0.81 PDE5A (0.65) PDE5AOGG1GBA1APPBCHE
SCHEMBL31044896 0.77 PDE5A (0.48) PDE5AOGG1GBA1APPBCHE
SCHEMBL4863069 0.77 PDE5A (0.62) PDE5AOGG1GBA1APPBCHE
SCHEMBL4866829 0.76 PDE5A (0.78) PDE5AOGG1APPBCHEACHE
SCHEMBL4861326 0.76 PDE5A (0.73) PDE5AOGG1APPBCHEACHE
SCHEMBL31045005 0.76 PDE5A (0.47) PDE5AGBA1APPBCHEACHE
SCHEMBL4866885 0.76 GBA1 (0.59) PDE5AGBA1APPBCHEACHE

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 204/4885OGG1 3583/4885GBA1 2919/4885

“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.