SCHEMBL4867321

SCHEMBL4867321

Oc1ccccc1CCNc1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.69
MAPK1 P28482 3/20 0.65
SIRT5 Q9NXA8 1/20 0.61
ACP1 P24666 2/20 0.60
KDM4E B2RXH2 2/20 0.60
GBA1 P04062 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
TLR9 Q9NR96 1/20 0.56
RECQL P46063 1/20 0.56
ALDH1A1 P00352 1/20 0.55
SLC6A3 Q01959 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
SCHEMBL4861504 0.85 PDE5A (0.78) PDE5AMAPK1SIRT5ACP1KDM4E
SCHEMBL4863157 0.84 PDE5A (0.69) PDE5AMAPK1SIRT5ACP1KDM4E
SCHEMBL1085431 0.82 PDE5A (1.00) PDE5AMAPK1SIRT5ACP1KDM4E
SCHEMBL5113059 0.79 PDE5A (0.64) PDE5AMAPK1SIRT5ACP1KDM4E
SCHEMBL1085567 0.77 PDE5A (1.00) PDE5AMAPK1SIRT5ACP1KDM4E
SCHEMBL17770433 0.77 PDE5A (0.73) PDE5AMAPK1SIRT5ACP1KDM4E
SCHEMBL4868357 0.77 CYP1A1 (0.82) PDE5AMAPK1SIRT5ACP1KDM4E
SCHEMBL1064493 0.76 GBA1 (0.82) PDE5AMAPK1SIRT5ACP1KDM4E
SCHEMBL5138849 0.76 PDE5A (0.82) PDE5AMAPK1ACP1KDM4EGBA1
SCHEMBL4867362 0.76 PDE5A (0.82) PDE5AMAPK1SIRT5ACP1KDM4E

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 5 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

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 204/4885MAPK1 513/4885SIRT5 36/4885

“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.