SCHEMBL4867358

SCHEMBL4867358

c1ccc(-c2nc(NC3CC3)c3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 1.00
PDE5A O76074 2/20 0.88
GBA1 P04062 11/20 0.77
CYP1A2 P05177 5/20 0.72
CYP3A4 P08684 5/20 0.72
CLK4 Q9HAZ1 4/20 0.72
KMT2A Q03164 3/20 0.72
USP2 O75604 3/20 0.72
CYP2C19 P33261 3/20 0.72
HSD17B10 Q99714 3/20 0.72
MEN1 O00255 2/20 0.72
ALOX15 P16050 2/20 0.72
LMNA P02545 3/20 0.70
CYP2D6 P10635 3/20 0.70
ALDH1A1 P00352 2/20 0.70
TSHR P16473 2/20 0.70
MAPK1 P28482 2/20 0.70
TP53 P04637 2/20 0.70
MAPT P10636 2/20 0.70
NTSR1 P30989 1/20 0.70

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
SCHEMBL1083845 0.94 ACP1 (1.00) ACP1PDE5AGBA1CYP1A2CYP3A4
SCHEMBL4862541 0.92 ACP1 (1.00) ACP1PDE5AGBA1CYP1A2CYP3A4
SCHEMBL18353959 0.87 GBA1 (1.00) ACP1GBA1LMNAMAPT
SCHEMBL18354432 0.86 GBA1 (1.00) ACP1PDE5AGBA1
SCHEMBL3460201 0.86 ACP1 (0.84) ACP1PDE5AGBA1CYP1A2CYP3A4
SCHEMBL22201548 0.85 ACP1 (0.73) ACP1PDE5AGBA1CYP1A2CYP3A4
SCHEMBL1083972 0.84 ACP1 (0.85) ACP1PDE5AGBA1CYP1A2CYP3A4
SCHEMBL3459522 0.82 CYP1A2 (0.71) ACP1PDE5AGBA1CYP1A2CYP3A4
SCHEMBL18353962 0.82 GBA1 (1.00) ACP1PDE5AGBA1
SCHEMBL18354085 0.82 GBA1 (1.00) ACP1PDE5AGBA1

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 ACP1 3203/4885PDE5A 204/4885GBA1 2919/4885

“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.