SCHEMBL16879461

SCHEMBL16879461

O=C(Cc1ccccn1)Nc1ccc(Br)c(F)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
MKNK1 Q9BUB5 1/20 0.46
GLS O94925 8/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.43
MET P08581 1/20 0.43
DEGS1 O15121 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL16879490 0.80 KMT2A (0.58) CA1CA2CA5ACA7CA5B
SCHEMBL29349427 0.77 GLS (0.51) CA1CA2CA5ACA7CA5B
SCHEMBL17223881 0.77 GLS (0.51) CA1CA2CA5ACA7CA5B
SCHEMBL16879486 0.76 CA1 (0.39) CA1CA2CA5ACA7CA5B
SCHEMBL16887495 0.76 MKNK1 (0.40) CA1CA2CA5ACA7CA5B
SCHEMBL16879424 0.76 GLS (0.44) CA1CA2CA5ACA7CA5B
SCHEMBL16887483 0.75 KMT2A (0.68) RAB9AGAAMETDEGS1HTT
SCHEMBL21907303 0.74 GAA (0.53) CA1CA2CA5ACA7CA5B
SCHEMBL4037192 0.73 LMNA (0.56) CA1CA2CA5ACA7CA5B
SCHEMBL18135203 0.72 L3MBTL1 (0.56) GLSRAB9AMEN1KMT2A

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
CN-112920180-A Glutaminase inhibitors 理森制药股份公司 2021-06-08 CN disclosed
CN-105960405-B Glutaminase inhibitors 理森制药股份公司 2021-02-19 CN disclosed
EP-3092235-A2 NOVEL INHIBITORS OF GLUTAMINASE Rhizen Pharmaceuticals S.A. (CH) 2016-11-16 EP disclosed
US-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS AG (CH) 2016-10-13 US disclosed
US-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS AG (CH) 2016-10-13 US disclosed
US-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS AG (CH) 2016-10-13 US disclosed
WO-2015101958-A2 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS SA (CH) 2015-07-09 WO disclosed
WO-2015101958-A2 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS SA (CH) 2015-07-09 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 (1 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-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL CA1 2420/4885CA2 1799/4885CA5A 691/4885

“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.