SCHEMBL4865170

SCHEMBL4865170

COc1ccc(CCNc2nc(-c3ccccc3)nc3ccccc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.76
MAPK1 P28482 3/20 0.66
KDM4E B2RXH2 2/20 0.66
POLB P06746 1/20 0.65
RAD52 P43351 1/20 0.65
RXFP1 Q9HBX9 1/20 0.65
SLC6A3 Q01959 2/20 0.64
ABCG2 Q9UNQ0 1/20 0.64
SYK P43405 1/20 0.63
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
GBA1 P04062 3/20 0.62
CYP1A2 P05177 3/20 0.61
CYP3A4 P08684 3/20 0.61
CYP2D6 P10635 3/20 0.61
CYP2C19 P33261 3/20 0.61
TSHR P16473 2/20 0.61
ALOX15 P16050 1/20 0.61
ACP1 P24666 2/20 0.60
USP2 O75604 2/20 0.60

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
SCHEMBL4859116 0.87 CYP1A2 (0.72) PDE5AMAPK1KDM4EPOLBRAD52
SCHEMBL1085431 0.87 PDE5A (1.00) PDE5AMAPK1KDM4ESLC6A3MEN1
SCHEMBL5138849 0.86 PDE5A (0.82) PDE5AMAPK1KDM4EPOLBRAD52
SCHEMBL16404467 0.86 RAD52 (0.80) PDE5AMAPK1KDM4EPOLBRAD52
SCHEMBL12176090 0.85 LMNA (0.72) PDE5AMAPK1POLBRAD52RXFP1
SCHEMBL1083823 0.85 MEN1 (0.79) PDE5AKDM4EPOLBRAD52ABCG2
SCHEMBL2845653 0.84 APP (0.76) PDE5APOLBKMT2AACP1
SCHEMBL16404344 0.84 POLB (0.70) PDE5AMAPK1POLBRAD52RXFP1
SCHEMBL4867362 0.84 PDE5A (0.82) PDE5AMAPK1KDM4ESLC6A3ABCG2
SCHEMBL4868103 0.84 PDE5A (0.82) PDE5AMAPK1KDM4EPOLBSLC6A3

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 204/4885MAPK1 513/4885KDM4E 1731/4885

“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.