SCHEMBL4867588

SCHEMBL4867588

FC(F)(F)c1cccc(CCNc2nc(-c3ccccc3)nc3ccccc23)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.71
ABCG2 Q9UNQ0 3/20 0.63
MAPK1 P28482 2/20 0.62
KDM4E B2RXH2 1/20 0.62
GBA1 P04062 4/20 0.61
SLC6A3 Q01959 2/20 0.57
APP P05067 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ATM Q13315 1/20 0.56
ACP1 P24666 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
JAK2 O60674 1/20 0.52
METAP1 P53582 1/20 0.52
PPP1CA P62136 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SIRT5 Q9NXA8 1/20 0.51

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
SCHEMBL4864021 0.88 APP (0.73) PDE5AABCG2MAPK1KDM4EGBA1
SCHEMBL4856772 0.85 GBA1 (0.82) PDE5AABCG2MAPK1KDM4EGBA1
SCHEMBL1085431 0.84 PDE5A (1.00) PDE5AMAPK1KDM4EGBA1SLC6A3
SCHEMBL4867641 0.82 PDE5A (0.78) PDE5AABCG2MAPK1KDM4EGBA1
SCHEMBL23723420 0.81 APP (0.58) APP
SCHEMBL30125157 0.81 APP (0.58) APP
SCHEMBL4867671 0.81 PDE5A (0.69) PDE5AABCG2GBA1APPKMT2A
SCHEMBL26646037 0.81 APP (0.57) APP
SCHEMBL4865186 0.81 LMNA (0.59) PDE5AGBA1APPLMNAMAPT
SCHEMBL5101416 0.80 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 204/4885ABCG2 207/4885MAPK1 513/4885

“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.