SCHEMBL4095293

SCHEMBL4095293

c1ccc(CNc2nc(C3CCCCC3)nc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 1.00
OGG1 O15527 1/20 0.61
APP P05067 7/20 0.59
BCHE P06276 5/20 0.59
ACHE P22303 5/20 0.59
RAD52 P43351 1/20 0.58
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
UBE2N P61088 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RCE1 Q9Y256 1/20 0.57
MEN1 O00255 1/20 0.55
GBA1 P04062 1/20 0.55
ATM Q13315 1/20 0.55
USP1 O94782 1/20 0.54
WDR48 Q8TAF3 1/20 0.54

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
SCHEMBL4867367 0.88 PDE5A (0.78) PDE5AOGG1APPBCHEACHE
SCHEMBL4866829 0.88 PDE5A (0.78) PDE5AOGG1APPBCHEACHE
SCHEMBL4856782 0.87 PDE5A (0.77) PDE5AOGG1APPBCHEACHE
SCHEMBL4867046 0.85 PDE5A (0.73) PDE5AOGG1APPBCHEACHE
SCHEMBL4861326 0.85 PDE5A (0.73) PDE5AOGG1APPBCHEACHE
SCHEMBL4894324 0.85 PDE5A (0.73) PDE5AOGG1APPBCHEACHE
SCHEMBL4864327 0.84 PDE5A (0.72) PDE5AOGG1APPBCHEACHE
SCHEMBL4867110 0.83 PDE5A (0.70) PDE5AOGG1APPRAD52KMT2A
SCHEMBL4868370 0.81 PDE5A (0.68) PDE5AAPPBCHEACHEALDH1A1
SCHEMBL4864401 0.79 PDE5A (0.65) PDE5AOGG1APPBCHEACHE

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 11 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed
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 (2 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 PDE5A 1861/4885OGG1 2592/4885APP 1979/4885
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY GPR119, GCKR, GLP1R PDE5A 204/4885OGG1 3583/4885APP 4386/4885

“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.