SCHEMBL1009729

SCHEMBL1009729

COc1ccc2n[c]sc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 0.38
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE2A O00408 5/20 0.35
PDE5A O76074 4/20 0.35
PDE7A Q13946 4/20 0.35
PDE11A Q9HCR9 4/20 0.35
PDE4A P27815 3/20 0.35
PDE3A Q14432 3/20 0.35
PDE4D Q08499 1/20 0.33
PDE7B Q9NP56 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
NNMT P40261 1/20 0.32

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
SCHEMBL971240 0.75 TAAR1 (0.34) RAB9A
SCHEMBL968935 0.75 HTR7 (0.46)
SCHEMBL971212 0.75
SCHEMBL2892169 0.75 RAB9A (0.39) POLBNPC1MAPTRAB9A
SCHEMBL9987552 0.72
SCHEMBL971469 0.72 ALDH1A1 (0.40) POLBTDP1MEN1MAPTKMT2A
SCHEMBL971555 0.71 DUT (0.34)
SCHEMBL969815 0.71
SCHEMBL969519 0.71 PLAU (0.36)
SCHEMBL970207 0.71 CRHBP (0.31)

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846700-B2 Heteroaryl quinazoline derivatives MSD K.K. (JP) 2014-09-30 US disclosed
EP-2221301-B1 HETEROARYLOXY QUINAZOLINE DERIVATIVE MSD KK (JP) 2014-06-04 EP disclosed
EP-2318402-B1 Pyrrolidinyl-alkyl-amide derivatives their preparation and their therapeutic application as CCR3 receptor ligands SANOFI SA (FR) 2014-04-30 EP disclosed
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES MSD K.K. (JP) 2014-01-09 US disclosed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
US-8420636-B2 Pyrrolidinyl-alkyl-amide derivatives, their preparation, and their therapeutic application as CCR3 receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES IINO TOMOHARU (JP) 2012-10-25 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8232284-B2 Heteroaryloxy quinazoline derivative MSD K. K. (JP) 2012-07-31 US disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
US-20100249146-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE MSD K.K. (JP) 2010-09-30 US disclosed
EP-2221301-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-25 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 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 (7 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-20100249146-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE GCKR, GCK, KHK PDE10A 2384/4885POLB 3443/4885TDP1 3370/4885
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP PDE10A 4089/4885POLB 573/4885TDP1 3736/4885
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD PDE10A 1284/4885POLB 1984/4885TDP1 2582/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 PDE10A 858/4885POLB 1255/4885TDP1 1793/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK PDE10A 2419/4885POLB 3382/4885TDP1 3441/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK PDE10A 1354/4885POLB 2078/4885TDP1 3385/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK PDE10A 2323/4885POLB 3386/4885TDP1 3318/4885

“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.