SCHEMBL1543778

SCHEMBL1543778

CC(Sc1nnc(-c2ccncc2)n1C)c1noc(-c2cc(Cl)ccc2F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.49
RAB9A P51151 2/20 0.40
DUSP3 P51452 1/20 0.40
PTPN11 Q06124 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
S1PR1 P21453 1/20 0.39
BCHE P06276 1/20 0.37
DNMT3B Q9UBC3 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
GRM5 P41594 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 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
SCHEMBL1543804 0.92 KCNH2 (0.44) KCNH2RAB9AKMT2AMEN1HPGD
SCHEMBL1543822 0.92 S1PR1 (0.47) KCNH2RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1544183 0.88 KCNH2 (0.42) KCNH2RAB9ADUSP3PTPN11KMT2A
SCHEMBL1544107 0.88 GAA (0.42) KCNH2RAB9AKMT2AMEN1HPGD
SCHEMBL1544086 0.87 CYP3A4 (0.47) KCNH2RAB9ADUSP3PTPN11KMT2A
SCHEMBL1544620 0.85 KCNH2 (0.68) KCNH2RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1544320 0.85 MAPT (0.46) KCNH2RAB9AKMT2AMEN1HPGD
SCHEMBL1543825 0.84 KCNH2 (0.46) KCNH2RAB9ADUSP3PTPN11KMT2A
SCHEMBL1544465 0.83 KCNH2 (0.48) KCNH2KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1543846 0.82 BCHE (0.40) KCNH2KMT2AMEN1SMN1; SMN2LMNA

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 18 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
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 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 (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 1764/4885RAB9A 1283/4885DUSP3 4400/4885
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KCNH2 1064/4885RAB9A 1926/4885DUSP3 2461/4885
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 710/4885RAB9A 1153/4885DUSP3 3512/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 KCNH2 1032/4885RAB9A 1785/4885DUSP3 2507/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 KCNH2 1064/4885RAB9A 1926/4885DUSP3 2461/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KCNH2 1064/4885RAB9A 1926/4885DUSP3 2461/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KCNH2 1064/4885RAB9A 1926/4885DUSP3 2461/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KCNH2 1064/4885RAB9A 1926/4885DUSP3 2461/4885

“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.