SCHEMBL1544038

SCHEMBL1544038

CCn1c(SC(C)c2noc(-c3cccc(Cl)c3)n2)nnc1-c1ccc(O)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
GRM5 P41594 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 2/20 0.36
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1544348 0.90 KCNH2 (0.46) KCNH2GRM5TSHRALDH1A1MEN1
SCHEMBL1544277 0.89 KCNH2 (0.42) KCNH2GRM5TSHRALDH1A1MEN1
SCHEMBL1543716 0.88 KCNH2 (0.46) KCNH2GRM5TSHRALDH1A1MEN1
SCHEMBL1543643 0.86 KCNH2 (0.47) KCNH2GRM5TSHRALDH1A1MEN1
SCHEMBL1544403 0.85 KCNH2 (0.57) KCNH2GRM5TSHRALDH1A1MEN1
SCHEMBL1544274 0.85 KCNH2 (0.47) KCNH2GRM5TSHRALDH1A1MEN1
SCHEMBL1544397 0.83 KCNH2 (0.43) KCNH2GRM5TSHRMEN1KMT2A
SCHEMBL1544658 0.82 SMN1; SMN2 (0.47) KCNH2GRM5TSHRALDH1A1POLB
SCHEMBL1544595 0.82 KCNH2 (0.46) KCNH2GRM5TSHRALDH1A1MEN1
SCHEMBL1544204 0.81 KCNH2 (0.42) KCNH2GRM5TSHRMEN1KMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US claimed
WO-2005077345-A1 COMPOUNDS FOR THE TREATMENT OF GASTRO-ESOPHAGEAL REFLUX DISEASE ASTRAZENECA AB (SE) 2005-08-25 WO claimed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP claimed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US claimed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO claimed
EP-2311830-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-1723144-B1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-10-06 EP disclosed
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US disclosed
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 US disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
WO-2005077345-A1 COMPOUNDS FOR THE TREATMENT OF GASTRO-ESOPHAGEAL REFLUX DISEASE ASTRAZENECA AB (SE) 2005-08-25 WO disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 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 (8 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-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 KCNH2 1764/4885GRM5 2674/4885TSHR 4088/4885
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KCNH2 1064/4885GRM5 1/4885TSHR 895/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 KCNH2 710/4885GRM5 1/4885TSHR 769/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 KCNH2 1032/4885GRM5 1/4885TSHR 847/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 KCNH2 1064/4885GRM5 1/4885TSHR 895/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KCNH2 1064/4885GRM5 1/4885TSHR 895/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KCNH2 1064/4885GRM5 1/4885TSHR 895/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KCNH2 1064/4885GRM5 1/4885TSHR 895/4885

“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.