SCHEMBL5485426

SCHEMBL5485426

Clc1cccc(-n2cnc(COc3nnc(-c4ccncc4)n3C3CC3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.40
GSK3B P49841 1/20 0.40
CYP3A4 P08684 1/20 0.37
TACR1 P25103 1/20 0.36
MAPK1 P28482 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
BCHE P06276 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.34
KCNH2 Q12809 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
NOTUM Q6P988 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
MGLL Q99685 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL5711733 0.85 MAPK1 (0.44) FLT3GSK3BCYP3A4TACR1MAPK1
SCHEMBL2897403 0.85 GRM5 (0.38) FLT3GSK3BCYP3A4TACR1MAPK1
SCHEMBL5486621 0.84 CYP3A4 (0.54) FLT3GSK3BCYP3A4TACR1MAPK1
SCHEMBL5486646 0.84 FLT3 (0.51) FLT3GSK3BMEN1KMT2ANOTUM
SCHEMBL1545460 0.77 CYP3A4 (0.56) CYP3A4MAPK1BCHEKMT2ANPC1
SCHEMBL1544296 0.74 KCNH2 (0.42) CYP3A4BCHEMEN1ALDH1A1KMT2A
SCHEMBL2895287 0.74 GRM5 (0.37) CYP3A4ALPLALPIMEN1ALDH1A1
SCHEMBL2893046 0.74 GRM5 (0.35) CYP3A4ALPLALPIMEN1KMT2A
SCHEMBL2893681 0.72 GRM5 (0.56) FLT3GSK3BMAPK1KCNH2
SCHEMBL2896027 0.72 CHRNB2 (0.43) ALDH1A1TSHRNOTUM

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 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.