SCHEMBL4863948

SCHEMBL4863948

COc1ccc(CNc2nc(C3CC3)nc3ccccc23)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.70
ACHE P22303 11/20 0.70
BCHE P06276 8/20 0.70
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
PDE5A O76074 1/20 0.61
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL5107785 0.89 PDE5A (0.61) APPACHEBCHEMEN1KMT2A
SCHEMBL4868370 0.85 PDE5A (0.68) APPACHEBCHEPDE5ACYP1A2
SCHEMBL5107092 0.84 APP (0.69) APPACHEBCHEMEN1KMT2A
SCHEMBL4860008 0.84 PDE5A (0.63) APPACHEBCHEMEN1KMT2A
SCHEMBL4868361 0.83 CYP1A2 (0.64) MEN1KMT2APDE5ACYP1A2CYP3A4
SCHEMBL25353882 0.83 EGFR (0.53) APPACHEBCHEMEN1KMT2A
SCHEMBL4862525 0.83 CYP1A2 (0.55) APPACHEBCHEMEN1KMT2A
SCHEMBL5104596 0.82 PDE5A (0.55) APPACHEBCHEMEN1KMT2A
SCHEMBL3121034 0.81 APP (0.79) APPACHEBCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL3123789 0.81 APP (0.77) APPACHEBCHEMEN1KMT2A

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 APP 4386/4885ACHE 371/4885BCHE 550/4885

“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.