SCHEMBL4861326

SCHEMBL4861326

COc1cccc(CNc2nc(C3CCCCC3)nc3ccccc23)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.73
APP P05067 3/20 0.65
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
USP2 O75604 2/20 0.58
LMNA P02545 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
TSHR P16473 2/20 0.58
MAPK1 P28482 2/20 0.58
CYP2C19 P33261 2/20 0.58
CLK4 Q9HAZ1 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP2C9 P11712 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53

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
SCHEMBL5107092 0.95 APP (0.69) PDE5AAPPMEN1KMT2AUSP2
SCHEMBL4867367 0.88 PDE5A (0.78) PDE5AAPPUSP2LMNACYP1A2
SCHEMBL4860008 0.86 PDE5A (0.63) PDE5AAPPMEN1KMT2AUSP2
SCHEMBL4095293 0.85 PDE5A (1.00) PDE5AAPPMEN1KMT2ALMNA
SCHEMBL4866829 0.84 PDE5A (0.78) PDE5AAPPMEN1KMT2ALMNA
SCHEMBL4868370 0.82 PDE5A (0.68) PDE5AAPPUSP2LMNACYP1A2
SCHEMBL25355977 0.82 HTT (0.63) PDE5AAPPMEN1KMT2AUSP2
SCHEMBL4867046 0.81 PDE5A (0.73) PDE5AAPPMEN1KMT2AOGG1
SCHEMBL2587104 0.80 APP (0.76) APPMEN1KMT2AUSP2LMNA
SCHEMBL4867976 0.80 APP (0.76) APPMEN1KMT2AUSP2LMNA

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 204/4885APP 4386/4885MEN1 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.