SCHEMBL1544581

SCHEMBL1544581

N#Cc1cccc(-c2nnc(CN3CCCn4c(-c5ccncc5)nnc43)o2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
AURKA O14965 1/20 0.43
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
NOTUM Q6P988 1/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 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
SCHEMBL1544344 0.86 GAA (0.48) GSK3BHPGDALDH1A1KMT2AKDM4E
SCHEMBL1544559 0.86 PSEN1 (0.45) HPGDALDH1A1KMT2AKDM4EMEN1
SCHEMBL1544389 0.84 CHRNB2 (0.44) GSK3AGSK3BAURKANOTUMPSEN1
SCHEMBL1544705 0.84 CHRNB2 (0.41) GSK3AGSK3BAURKAALDH1A1KMT2A
SCHEMBL12704734 0.80 PSEN1 (0.37) GSK3AGSK3BAURKAPSEN1PSEN2
SCHEMBL2890137 0.77 CHRNB2 (0.44) GSK3AGSK3BHPGDALDH1A1KDM4E
SCHEMBL1545926 0.76 CPT2 (0.37) GSK3AGSK3BAURKAALDH1A1PSEN1
SCHEMBL2889873 0.75 CHRNB2 (0.44) GSK3AGSK3BHPGDALDH1A1KDM4E
SCHEMBL5485357 0.74 CHRNB2 (0.45) HPGDALDH1A1NOTUMPSEN1PSEN2
SCHEMBL1544902 0.73 USP30 (0.38) ALDH1A1KMT2AMEN1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716152-B1 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-07-30 EP claimed
US-20070185095-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US claimed
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-12 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-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
EP-1716152-B1 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 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-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-12-20 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-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070185095-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 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-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 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-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-12 US disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 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 (6 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-20070185095-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM5 GSK3A 4449/4885GSK3B 4448/4885AURKA 3539/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 GSK3A 2975/4885GSK3B 2681/4885AURKA 4426/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 GSK3A 3062/4885GSK3B 2834/4885AURKA 4508/4885
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM5 GSK3A 4390/4885GSK3B 4405/4885AURKA 3096/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 GSK3A 3062/4885GSK3B 2834/4885AURKA 4508/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 GSK3A 3062/4885GSK3B 2834/4885AURKA 4508/4885

“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.