SCHEMBL4867362

SCHEMBL4867362

Brc1ccc(CCNc2nc(-c3ccccc3)nc3ccccc23)cc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.82
MAPK1 P28482 2/20 0.70
KDM4E B2RXH2 1/20 0.70
GBA1 P04062 6/20 0.66
SLC6A3 Q01959 2/20 0.65
ABCG2 Q9UNQ0 1/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
ATM Q13315 1/20 0.60
ACP1 P24666 1/20 0.60
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
JAK2 O60674 1/20 0.58
METAP1 P53582 1/20 0.58
PPP1CA P62136 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SIRT5 Q9NXA8 1/20 0.57

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
SCHEMBL1085431 0.90 PDE5A (1.00) PDE5AMAPK1KDM4EGBA1SLC6A3
SCHEMBL4868103 0.87 PDE5A (0.82) PDE5AMAPK1KDM4EGBA1SLC6A3
SCHEMBL5138849 0.87 PDE5A (0.82) PDE5AMAPK1KDM4EGBA1SLC6A3
SCHEMBL4864013 0.86 PDE5A (0.81) PDE5AMAPK1GBA1ABCG2KMT2A
SCHEMBL4865170 0.84 PDE5A (0.76) PDE5AMAPK1KDM4EGBA1SLC6A3
SCHEMBL22201643 0.83 KDM4E (1.00) PDE5AMAPK1KDM4EGBA1SLC6A3
SCHEMBL4868215 0.82 PDE5A (0.82) PDE5AMAPK1KDM4EGBA1SLC6A3
SCHEMBL2590764 0.81 MEN1 (0.81) PDE5AMAPK1GBA1ABCG2KMT2A
SCHEMBL4863857 0.81 PDE5A (0.82) PDE5AMAPK1KDM4EGBA1SLC6A3
SCHEMBL5101416 0.81 PDE5A (0.72) PDE5AMAPK1KDM4EGBA1SLC6A3

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.