SCHEMBL1543682

SCHEMBL1543682

COc1ccc(-c2nnc(C(S)c3nnc(-c4cccc(Cl)c4)o3)n2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.53
NOTUM Q6P988 1/20 0.46
MAPT P10636 5/20 0.42
EGFR P00533 1/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TP53 P04637 4/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GLA P06280 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DGAT1 O75907 1/20 0.39
KMT2A Q03164 3/20 0.38
USP2 O75604 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL1544391 0.88 KCNH2 (0.44) KCNH2NOTUMMAPTEGFRNPC1
SCHEMBL27810138 0.87 KCNH2 (0.66) KCNH2NOTUMMAPTNPC1RAB9A
SCHEMBL1544222 0.83 KCNH2 (0.54) KCNH2NOTUMMAPTEGFRNPC1
SCHEMBL1544592 0.81 KCNH2 (0.47) KCNH2NOTUMMAPTNPC1RAB9A
SCHEMBL1544286 0.81 KCNH2 (0.49) KCNH2NOTUMMAPTNPC1RAB9A
SCHEMBL1544606 0.81 KCNH2 (0.54) KCNH2NOTUMMAPTEGFRNPC1
SCHEMBL1544819 0.79 KCNH2 (0.47) KCNH2NOTUMMAPTNPC1RAB9A
SCHEMBL1544217 0.75 KCNH2 (0.52) KCNH2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27810131 0.74 KCNH2 (0.55) KCNH2NOTUMMAPTNPC1RAB9A
SCHEMBL1543683 0.74 HPGD (0.64) MAPTNPC1RAB9ASMN1; SMN2TP53

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 16 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
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US 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 1764/4885NOTUM 331/4885MAPT 1620/4885
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KCNH2 1064/4885NOTUM 1681/4885MAPT 780/4885
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 710/4885NOTUM 2530/4885MAPT 1167/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 KCNH2 1032/4885NOTUM 1816/4885MAPT 740/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 KCNH2 1064/4885NOTUM 1681/4885MAPT 780/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KCNH2 1064/4885NOTUM 1681/4885MAPT 780/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KCNH2 1064/4885NOTUM 1681/4885MAPT 780/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KCNH2 1064/4885NOTUM 1681/4885MAPT 780/4885

“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.