SCHEMBL15724980

SCHEMBL15724980

O=C(Cc1ccccc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccccc4)s3)C2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLS O94925 13/20 1.00
CCNE1 P24864 3/20 0.63
CDK2 P24941 3/20 0.63
CDK5 Q00535 3/20 0.63
CDK5R1 Q15078 1/20 0.63
RECQL P46063 1/20 0.62
ALDH1A1 P00352 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL17172576 1.00 GLS (1.00) GLSCCNE1CDK2CDK5CDK5R1
SCHEMBL15725006 1.00 GLS (1.00) GLSCCNE1CDK2CDK5CDK5R1
SCHEMBL15724974 1.00 GLS (1.00) GLSCCNE1CDK2CDK5CDK5R1
SCHEMBL15724979 1.00 GLS (1.00) GLSCCNE1CDK2CDK5CDK5R1
SCHEMBL15724989 0.95 GLS (1.00) GLSRECQLKMT2A
SCHEMBL15724994 0.95 GLS (1.00) GLSRECQLKMT2A
SCHEMBL20392486 0.95 GLS (1.00) GLSRECQLKMT2A
SCHEMBL15724986 0.95 GLS (1.00) GLSRECQLKMT2A
SCHEMBL21325757 0.93 GLS (0.86) GLSCCNE1CDK2CDK5CDK5R1
SCHEMBL18836867 0.92 GLS (0.85) GLSCCNE1CDK2CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3697764-A1 GLUTAMINASE INHIBITOR THERAPY Board Of Regents, The University Of Texas System (US) 2020-08-26 EP disclosed
US-10689375-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
WO-2019079632-A1 GLUTAMINASE INHIBITOR THERAPY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-04-25 WO disclosed
US-20190084976-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2019-03-21 US disclosed
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 EP disclosed
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 EP disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-9029531-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-9029531-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
WO-2014079136-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES AS GLUTAMINASE INHIBITORS FOR TREATING CANCERS THEREOF AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
WO-2014079150-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
WO-2014079011-A1 HETEROCYCLIC COMPOUNDS FOR INHIBITING GLUTAMINASE AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 US disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 US 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-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885CCNE1 1203/4885CDK2 581/4885
US-20190084976-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885CCNE1 2109/4885CDK2 711/4885
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885CCNE1 2109/4885CDK2 711/4885
US-10689375-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885CCNE1 2109/4885CDK2 711/4885

“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.