SCHEMBL1083763

SCHEMBL1083763

c1ccc(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 8/20 1.00
KMT2A Q03164 8/20 1.00
GBA1 P04062 2/20 1.00
ATM Q13315 1/20 1.00
LMNA P02545 6/20 0.83
PTGS1 P23219 2/20 0.83
TBXAS1 P24557 2/20 0.83
PTGS2 P35354 2/20 0.83
MAPT P10636 2/20 0.83
CYP1A2 P05177 7/20 0.77
CYP3A4 P08684 7/20 0.77
CYP2D6 P10635 7/20 0.77
CYP2C19 P33261 7/20 0.77
ALDH1A1 P00352 6/20 0.77
HSD17B10 Q99714 5/20 0.77
CLK4 Q9HAZ1 5/20 0.77
TSHR P16473 5/20 0.77
USP2 O75604 5/20 0.77
MAPK1 P28482 5/20 0.77

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
SCHEMBL2583554 0.91 MEN1 (1.00) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL7277479 0.91 PDE5A (1.00) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL1062736 0.91 PDE5A (0.89) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL1084183 0.91 MEN1 (0.89) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL12176300 0.90 MEN1 (0.81) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL2590764 0.90 MEN1 (0.81) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL2583256 0.90 PDE5A (0.90) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL2591972 0.90 PDE5A (1.00) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL4857376 0.90 MEN1 (0.81) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL4864013 0.90 PDE5A (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 23 patents — showing the first 20. 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-8865708-B2 Methods and compositions for inhibition of the transitional endoplasmic reticulum ATPase CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-21 US disclosed
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
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-11-24 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US 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
US-4377582-A HYPOTENSIVE AGENTS A. H. ROBINS COMPANY, INC. (US) 1983-03-22 US disclosed
US-4306065-A HYPOTENSIVE A. H. ROBINS COMPANY, INCORPORATED (US) 1981-12-15 US 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 (2 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-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE VCP, PSMG3, PSMB3 PDE5A 4147/4885MEN1 4115/4885KMT2A 4438/4885
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.