SCHEMBL4864375

SCHEMBL4864375

COc1cc(CNc2nc(CCc3ccccc3)nc3ccccc23)cc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.60
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
LMNA P02545 4/20 0.56
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2D6 P10635 3/20 0.56
TSHR P16473 3/20 0.56
MAPK1 P28482 3/20 0.56
CYP2C19 P33261 3/20 0.56
HSD17B10 Q99714 2/20 0.56
USP2 O75604 2/20 0.56
CLK4 Q9HAZ1 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP2C9 P11712 1/20 0.56
SLC2A1 P11166 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.52
ACHE P22303 4/20 0.51
PDE4A P27815 1/20 0.49

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
SCHEMBL4863020 0.92 APP (0.71) APPKMT2AMEN1LMNACYP1A2
SCHEMBL4864609 0.91 APP (0.57) APPKMT2AMEN1LMNACYP1A2
SCHEMBL4859121 0.89 APP (0.68) APPKMT2ALMNACYP1A2CYP3A4
SCHEMBL4866192 0.89 APP (0.61) APPKMT2AMEN1LMNACYP1A2
SCHEMBL4868159 0.87 APP (0.51) APPKMT2AMEN1LMNACYP1A2
SCHEMBL4868169 0.84 APP (0.70) APPKMT2AMEN1LMNACYP1A2
SCHEMBL4859418 0.84 ACHE (0.72) APPKMT2AMEN1ACHEBCHE
SCHEMBL5273800 0.83 CYP1A2 (0.66) APPKMT2AMEN1LMNACYP1A2
SCHEMBL5270283 0.83 CYP1A2 (0.55) APPKMT2AMEN1LMNACYP1A2
SCHEMBL4861484 0.81 CYP1A2 (0.64) KMT2AMEN1LMNACYP1A2CYP3A4

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 6 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
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 APP 4386/4885KMT2A 1662/4885MEN1 3837/4885

“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.