SCHEMBL4865131

SCHEMBL4865131

COc1cccc(CNc2nc(-c3ccccc3)nc3ccccc23)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.87
CYP3A4 P08684 8/20 0.87
CYP2D6 P10635 8/20 0.87
CYP2C19 P33261 8/20 0.87
TSHR P16473 7/20 0.87
USP2 O75604 5/20 0.87
LMNA P02545 4/20 0.87
CLK4 Q9HAZ1 4/20 0.87
MAPK1 P28482 3/20 0.87
CYP2C9 P11712 3/20 0.87
ALDH1A1 P00352 1/20 0.87
HSD17B10 Q99714 1/20 0.87
MAPT P10636 2/20 0.82
MEN1 O00255 8/20 0.75
KMT2A Q03164 8/20 0.75
APP P05067 1/20 0.73
PDE5A O76074 4/20 0.70
GBA1 P04062 1/20 0.70
ATM Q13315 1/20 0.70
HIF1A Q16665 1/20 0.69

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
SCHEMBL4863831 0.92 CYP1A2 (0.74) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4867805 0.90 CYP1A2 (0.74) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4859116 0.88 CYP1A2 (0.72) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL12176088 0.86 LMNA (0.76) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL2587104 0.85 APP (0.76) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4867976 0.85 APP (0.76) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL3108468 0.84 APP (0.74) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL12176090 0.84 LMNA (0.72) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL1083760 0.83 MEN1 (1.00) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4866326 0.83 APP (0.73) CYP1A2CYP3A4CYP2D6CYP2C19TSHR

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 CYP1A2 528/4885CYP3A4 441/4885CYP2D6 1681/4885

“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.