SCHEMBL5486646

SCHEMBL5486646

Clc1cccc(-n2cc(COc3nnc(-c4ccncc4)n3C3CC3)nn2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.51
GSK3B P49841 1/20 0.51
NOTUM Q6P988 1/20 0.47
RXRA P19793 15/20 0.47
GRIN1 Q05586 15/20 0.47
GRIN2B Q13224 15/20 0.47
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5485426 0.84 FLT3 (0.40) FLT3GSK3BNOTUMMEN1KMT2A
SCHEMBL5485490 0.82 FLT3 (0.50) FLT3GSK3BNOTUMMEN1MAPT
SCHEMBL2897403 0.82 GRM5 (0.38) FLT3GSK3BMEN1KMT2A
SCHEMBL5711733 0.81 MAPK1 (0.44) FLT3GSK3BNOTUMMEN1MAPT
SCHEMBL1544296 0.79 KCNH2 (0.42) MEN1MAPTKMT2A
SCHEMBL1545460 0.74 CYP3A4 (0.56) MAPTKMT2A
SCHEMBL27661889 0.72 FLT3 (0.38) FLT3GSK3BNOTUMMEN1KMT2A
SCHEMBL2893681 0.72 GRM5 (0.56) FLT3GSK3B
SCHEMBL5486621 0.72 CYP3A4 (0.54) FLT3GSK3BMEN1MAPTKMT2A
SCHEMBL2895287 0.71 GRM5 (0.37) RXRAGRIN1GRIN2BMEN1KMT2A

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 3184/4885NOTUM 4056/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 FLT3 820/4885GSK3B 2328/4885NOTUM 4132/4885

“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.