SCHEMBL2591972

SCHEMBL2591972

Clc1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 1.00
MEN1 O00255 7/20 0.81
KMT2A Q03164 7/20 0.81
GBA1 P04062 2/20 0.81
ATM Q13315 1/20 0.81
LMNA P02545 3/20 0.78
MAPT P10636 1/20 0.78
PTGS1 P23219 2/20 0.69
TBXAS1 P24557 2/20 0.69
PTGS2 P35354 2/20 0.69
APP P05067 2/20 0.69
USP1 O94782 2/20 0.67
WDR48 Q8TAF3 2/20 0.67
ALDH1A1 P00352 3/20 0.64
CYP1A2 P05177 3/20 0.64
CYP3A4 P08684 3/20 0.64
CYP2D6 P10635 3/20 0.64
CYP2C19 P33261 3/20 0.64
POLB P06746 2/20 0.64
USP2 O75604 2/20 0.64

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
SCHEMBL2583256 0.94 PDE5A (0.90) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL12176337 0.92 PDE5A (0.85) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL1083763 0.90 PDE5A (1.00) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL1063668 0.90 PDE5A (0.81) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL4866252 0.88 PDE5A (0.78) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL12176338 0.88 PDE5A (0.78) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL2583554 0.87 MEN1 (1.00) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL28805458 0.86 PDE5A (0.76) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL4868103 0.86 PDE5A (0.82) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL4857376 0.86 MEN1 (0.81) PDE5AMEN1KMT2AGBA1ATM

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 11 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
CN-103068393-A Methods and compositions for inhibition of the transitional endoplasmic reticulum atpase CLEAVE BIOSCIENCES INC CLEAVE 2013-04-24 CN disclosed
EP-2566480-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE California Institute of Technology (US) 2013-03-13 EP disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed
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 204/4885MEN1 3837/4885KMT2A 1662/4885

“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.