SCHEMBL5485490

SCHEMBL5485490

Clc1cccc(-n2cc(CSc3nnc(-c4ccncc4)n3C3CC3)nn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.50
GSK3B P49841 1/20 0.50
CYP3A4 P08684 1/20 0.49
PTGS2 P35354 3/20 0.47
PTGS1 P23219 1/20 0.47
NPC1 O15118 1/20 0.47
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
NOTUM Q6P988 1/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
TACR1 P25103 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL5480376 0.85 MAPK1 (0.59) FLT3GSK3BPTGS2PTGS1NPC1
SCHEMBL5486621 0.84 CYP3A4 (0.54) FLT3GSK3BCYP3A4NPC1ALPL
SCHEMBL2895705 0.82 CYP3A4 (0.52) FLT3GSK3BCYP3A4NPC1ALPL
SCHEMBL5711733 0.82 MAPK1 (0.44) FLT3GSK3BCYP3A4PTGS2PTGS1
SCHEMBL5486646 0.82 FLT3 (0.51) FLT3GSK3BNOTUMMAPTMEN1
SCHEMBL1544424 0.79 CYP3A4 (0.55) CYP3A4NPC1ALPLALPIGAA
SCHEMBL1544683 0.76 MEN1 (0.63) GSK3BCYP3A4PTGS2NPC1ALPL
SCHEMBL1544492 0.75 LMNA (0.57) CYP3A4GAAMAPK1ALDH1A1MAPT
SCHEMBL1544304 0.74 CYP3A4 (0.79) CYP3A4NPC1ALPLALPIGAA
SCHEMBL2895597 0.72 CYP3A4 (0.49) CYP3A4ALPLALPIGAATSHR

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 12 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
EP-1720860-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-15 EP claimed
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-26 US claimed
WO-2005080379-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 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
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 FLT3 284/4885GSK3B 3184/4885CYP3A4 639/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 FLT3 820/4885GSK3B 2328/4885CYP3A4 782/4885

“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.