SCHEMBL4338428

SCHEMBL4338428

COc1ccc(-c2nnc3n2CCCCN3Cc2noc(-c3cccc(Cl)c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
TSHR P16473 3/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
SMPD1 P17405 1/20 0.40
MAPK1 P28482 1/20 0.39
KCNH2 Q12809 2/20 0.39
SLC6A9 P48067 1/20 0.39

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
SCHEMBL4327916 0.87 KCNH2 (0.47) MAPTL3MBTL1TSHRNPC1SMN1; SMN2
SCHEMBL5485527 0.85 MAPT (0.39) MAPTL3MBTL1TDP1PSEN1PSEN2
SCHEMBL1544442 0.85 KCNH2 (0.47) MAPTL3MBTL1TSHRNPC1SMN1; SMN2
SCHEMBL5485393 0.84 USP30 (0.43) MAPTL3MBTL1TDP1PSEN1PSEN2
SCHEMBL4336808 0.84 MAPT (0.38) MAPTL3MBTL1TSHRNPC1SMN1; SMN2
SCHEMBL4330936 0.84 PSEN1 (0.45) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5478892 0.83 MAPT (0.40) MAPTL3MBTL1TDP1TSHRNPC1
SCHEMBL5482293 0.82 P2RX7 (0.40) MAPTTSHRNPC1SMN1; SMN2TP53
SCHEMBL4333880 0.81 MAPT (0.36) MAPTL3MBTL1TDP1TSHRNPC1
SCHEMBL4335368 0.81 MAPT (0.42) MAPTL3MBTL1TDP1TSHRNPC1

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 13 patents. 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
EP-1716152-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2006-11-02 EP claimed
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-12 US claimed
WO-2005080397-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2005-09-01 WO claimed
EP-2672971-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE Pharmalundensis AB (SE) 2013-12-18 EP disclosed
WO-2012108831-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE REDECO CHEM AB (SE) 2012-08-16 WO disclosed
US-7576077-B2 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-08-18 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-20070185095-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1716152-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-12 US disclosed
WO-2005080397-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2005-09-01 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 (2 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 MAPT 3234/4885L3MBTL1 4492/4885TDP1 4251/4885
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM5 MAPT 2576/4885L3MBTL1 4624/4885TDP1 4066/4885

“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.