SCHEMBL5484732

SCHEMBL5484732

OCc1cn(-c2cccc(Cl)c2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 18/20 1.00
KDM4E B2RXH2 1/20 0.67
MAPT P10636 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.66

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
SCHEMBL23451581 0.83 NOTUM (1.00) NOTUMKDM4EMAPTL3MBTL1
Hydrochloric Acid SCHEMBL23452017 0.83 NOTUM (0.71) NOTUMMAPT
SCHEMBL19211383 0.81 NOTUM (0.68) NOTUML3MBTL1
SCHEMBL19211459 0.81 NOTUM (1.00) NOTUML3MBTL1
SCHEMBL19211517 0.81 NOTUM (0.68) NOTUMKDM4EMAPTL3MBTL1
SCHEMBL17502287 0.80 NOTUM (1.00) NOTUMKDM4EMAPTL3MBTL1
SCHEMBL2821461 0.80 NOTUM (1.00) NOTUMKDM4EMAPTL3MBTL1
SCHEMBL21792045 0.79 NOTUM (1.00) NOTUMKDM4EMAPT
SCHEMBL19211410 0.79 NOTUM (0.76) NOTUMKDM4EMAPT
SCHEMBL19211422 0.79 NOTUM (0.80) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US 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 (4 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885KDM4E 3907/4885MAPT 1431/4885
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRIN3A, GRM1 NOTUM 4056/4885KDM4E 2986/4885MAPT 1892/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 NOTUM 4132/4885KDM4E 3314/4885MAPT 1517/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885KDM4E 4149/4885MAPT 315/4885

“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.