SCHEMBL5480376

SCHEMBL5480376

Cn1c(SCc2cn(-c3cccc(Cl)c3)nn2)nnc1-c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.54
TSHR P16473 1/20 0.54
FLT3 P36888 1/20 0.53
GSK3B P49841 1/20 0.53
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NOTUM Q6P988 1/20 0.49
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TACR1 P25103 1/20 0.46

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
SCHEMBL5485490 0.85 FLT3 (0.50) MAPK1MEN1KMT2AALDH1A1GAA
SCHEMBL5711733 0.83 MAPK1 (0.44) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL1544506 0.78 ALDH1A1 (0.55) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL1543612 0.75 ALDH1A1 (0.54) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL1544178 0.73 MEN1 (0.58) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL6404779 0.72 SMN1; SMN2 (0.80) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL1544654 0.72 MEN1 (0.55) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL1544545 0.71 LMNA (0.70) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL1543946 0.71 CYP3A4 (0.57) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL5486646 0.71 FLT3 (0.51) MEN1KMT2AFLT3GSK3BNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101018779-A Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-15 CN claimed
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists AATRAZENECA AB (SE) 2007-08-09 US claimed
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-26 US 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
CN-101018779-A Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-15 CN disclosed
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists AATRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1720860-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-15 EP disclosed
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-26 US disclosed
WO-2005080379-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 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-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRIN3A, GRM1 MAPK1 2437/4885MEN1 1773/4885KMT2A 2087/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 MAPK1 2322/4885MEN1 3645/4885KMT2A 2179/4885

“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.