SCHEMBL4863914

SCHEMBL4863914

COc1cc(OC)c(CNc2nc(C(OC)c3ccccc3)nc3ccccc23)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 12/20 0.48
CYP3A4 P08684 12/20 0.48
CYP2C19 P33261 12/20 0.48
CYP2D6 P10635 11/20 0.48
TSHR P16473 11/20 0.48
LMNA P02545 8/20 0.48
HSD17B10 Q99714 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
CYP2C9 P11712 9/20 0.47
USP2 O75604 8/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALOX15 P16050 3/20 0.47
BCHE P06276 3/20 0.46
ACHE P22303 3/20 0.46
HIF1A Q16665 1/20 0.45
APP P05067 3/20 0.44
ALDH1A1 P00352 4/20 0.44
CLK4 Q9HAZ1 2/20 0.44

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
SCHEMBL5103792 0.88 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL5102203 0.88 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL4930371 0.87 APP (0.54) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL4868243 0.87 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL5100498 0.85 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL4864380 0.84 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL4867665 0.84 APP (0.64) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL4866281 0.83 APP (0.52) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL4864516 0.83 APP (0.66) CYP1A2CYP3A4MEN1KMT2ABCHE
SCHEMBL4860039 0.83 APP (0.66) CYP1A2CYP3A4CYP2C19CYP2D6TSHR

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 441/4885CYP2C19 466/4885

“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.