SCHEMBL4867367

SCHEMBL4867367

COc1ccc(CNc2nc(C3CCCCC3)nc3ccccc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.78
APP P05067 4/20 0.63
SLC2A1 P11166 1/20 0.56
POLB P06746 2/20 0.56
EGFR P00533 2/20 0.56
NR2F2 P24468 1/20 0.56
USP1 O94782 2/20 0.53
WDR48 Q8TAF3 2/20 0.53
OGG1 O15527 1/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
NCF1 P14598 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 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
SCHEMBL4868370 0.94 PDE5A (0.68) PDE5AAPPSLC2A1POLBEGFR
SCHEMBL4095293 0.88 PDE5A (1.00) PDE5AAPPUSP1WDR48OGG1
SCHEMBL4861326 0.88 PDE5A (0.73) PDE5AAPPSLC2A1POLBOGG1
SCHEMBL4860008 0.84 PDE5A (0.63) PDE5AAPPSLC2A1POLBEGFR
SCHEMBL5107092 0.82 APP (0.69) PDE5AAPPSLC2A1LMNATP53
SCHEMBL4863948 0.80 APP (0.70) PDE5AAPPCYP1A2CYP3A4BCHE
SCHEMBL3118894 0.78 APP (0.74) APPSLC2A1POLBEGFRNR2F2
SCHEMBL2255109 0.78 SLC2A1 (0.81) APPSLC2A1POLBEGFRNR2F2
SCHEMBL2817787 0.78 APP (0.74) APPSLC2A1POLBEGFRNR2F2
SCHEMBL2586993 0.78 SLC2A1 (0.81) APPSLC2A1POLBEGFRNR2F2

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 4386/4885SLC2A1 21/4885

“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.