SCHEMBL5483310

SCHEMBL5483310

CC(Oc1nnc(-c2ccncc2)n1C)c1cnn(-c2cccc(Cl)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
GRM5 P41594 10/20 0.47
FLT3 P36888 2/20 0.43
GSK3B P49841 1/20 0.43
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
MKNK1 Q9BUB5 1/20 0.38
KDM5B Q9UGL1 1/20 0.35
TACR1 P25103 1/20 0.35

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
SCHEMBL5480910 0.81 KCNH2 (0.57) KCNH2GRM5FLT3GSK3BMAPK1
SCHEMBL5483661 0.81 KCNH2 (0.57) KCNH2GRM5FLT3GSK3BMAPK1
SCHEMBL2895294 0.78 GRM5 (0.73) KCNH2GRM5FLT3GSK3BMAPK1
SCHEMBL2895291 0.78 GRM5 (0.73) KCNH2GRM5FLT3GSK3BMAPK1
SCHEMBL2895780 0.78 GRM5 (0.73) KCNH2GRM5FLT3GSK3BMAPK1
SCHEMBL1544301 0.73 KCNH2 (1.00) KCNH2GRM5MEN1ALDH1A1KMT2A
Azd2066 SCHEMBL1848325 0.73 GRM5 (0.72) KCNH2GRM5MAPK1MEN1ALDH1A1
Azd2066 SCHEMBL4331565 0.73 GRM5 (0.72) KCNH2GRM5MAPK1MEN1ALDH1A1
Azd2066 SCHEMBL1544607 0.73 GRM5 (0.72) KCNH2GRM5MAPK1MEN1ALDH1A1
SCHEMBL1544738 0.73 KCNH2 (0.73) KCNH2GRM5MAPK1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KCNH2 527/4885GRM5 9/4885FLT3 284/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 KCNH2 453/4885GRM5 1/4885FLT3 820/4885

“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.