SCHEMBL4863320

SCHEMBL4863320

COc1cccc(CNc2nc(C(OC)c3ccccc3)nc3ccccc23)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.52
CYP3A4 P08684 15/20 0.52
CYP2D6 P10635 15/20 0.52
CYP2C19 P33261 15/20 0.52
TSHR P16473 14/20 0.52
LMNA P02545 12/20 0.52
USP2 O75604 11/20 0.52
ALOX15 P16050 6/20 0.52
CYP2C9 P11712 10/20 0.49
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
HIF1A Q16665 1/20 0.49
SLC2A1 P11166 1/20 0.48
HSD17B10 Q99714 9/20 0.47
CLK4 Q9HAZ1 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 4/20 0.47
MAPK1 P28482 4/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL4864380 0.91 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL5104541 0.88 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4868186 0.87 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4866281 0.84 APP (0.52) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL5102203 0.82 CYP1A2 (0.64) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL5100498 0.82 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL3117297 0.80 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4863914 0.80 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4864516 0.80 APP (0.66) CYP1A2CYP3A4MEN1KMT2A
SCHEMBL5100413 0.79 CYP1A2 (0.63) 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.