SCHEMBL14986950

SCHEMBL14986950

O=C(Cc1cccs1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccs3)s2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 8/20 1.00
POLB P06746 8/20 0.88
TDP1 Q9NUW8 3/20 0.88
L3MBTL1 Q9Y468 3/20 0.88
HSD17B10 Q99714 3/20 0.88
MEN1 O00255 2/20 0.88
APEX1 P27695 2/20 0.88
KMT2A Q03164 2/20 0.88
CTDSP1 Q9GZU7 2/20 0.88
ALOX15 P16050 2/20 0.88
GAPDH P04406 1/20 0.88
NR4A1 P22736 1/20 0.88
PTPN7 P35236 1/20 0.88
BLM P54132 1/20 0.88
F2 P00734 1/20 0.78
ALDH1A1 P00352 3/20 0.72
RECQL P46063 2/20 0.72
THRB P10828 1/20 0.72
APOBEC3A P31941 1/20 0.72
MCL1 Q07820 1/20 0.72

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
SCHEMBL16306830 0.97 GLS (0.95) GLSPOLBTDP1L3MBTL1HSD17B10
SCHEMBL3418239 0.94 POLB (1.00) GLSPOLBTDP1L3MBTL1HSD17B10
SCHEMBL14987287 0.89 GLS (1.00) GLSPOLBTDP1L3MBTL1HSD17B10
SCHEMBL15043807 0.86 GLS (1.00) GLSPOLBTDP1L3MBTL1HSD17B10
SCHEMBL21368571 0.85 GLS (0.77) GLSPOLBTDP1L3MBTL1HSD17B10
SCHEMBL14987500 0.84 GLS (1.00) GLS
SCHEMBL14987507 0.84 GLS (1.00) GLS
SCHEMBL17172556 0.83 GLS (0.70) GLSPOLBTDP1L3MBTL1HSD17B10
SCHEMBL15724973 0.83 GLS (0.70) GLSPOLBTDP1L3MBTL1HSD17B10
SCHEMBL15724977 0.83 GLS (0.70) GLSPOLBTDP1L3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277276-B1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES INC (US) 2020-11-04 EP disclosed
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 US disclosed
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2019-10-17 US disclosed
US-10441587-B2 Treatment of lung cancer with inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2019-10-15 US disclosed
EP-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 EP disclosed
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 US disclosed
WO-2018039442-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2018-03-01 WO disclosed
US-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE LIANG YU (US) 2018-03-01 US disclosed
WO-2016164401-A1 TREATMENT OF LUNG CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2016-10-13 WO disclosed
WO-2016160980-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. (US) 2016-10-06 WO disclosed
US-20160287585-A1 Treatment of Lung Cancer with Inhibitors of Glutaminase CALITHERA BIOSCIENCES, INC. 2016-10-06 US disclosed
US-20150258082-A1 COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. 2015-09-17 US disclosed
WO-2015138902-A1 COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. (US) 2015-09-17 WO disclosed
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2015-01-01 US disclosed
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2014-12-18 US disclosed
WO-2014089048-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2014-06-12 WO disclosed
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2014-02-20 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 US disclosed
WO-2013078123-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-05-30 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 (10 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-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885POLB 2684/4885TDP1 1546/4885
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885POLB 2684/4885TDP1 1546/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL GLS 1/4885POLB 2684/4885TDP1 1546/4885
US-10441587-B2 Treatment of lung cancer with inhibitors of glutaminase KRAS, GLS, GLUL GLS 2/4885POLB 1210/4885TDP1 2429/4885
US-20160287585-A1 Treatment of Lung Cancer with Inhibitors of Glutaminase KRAS, GLS, GLUL GLS 2/4885POLB 1210/4885TDP1 2429/4885
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885POLB 2684/4885TDP1 1546/4885
US-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885POLB 1351/4885TDP1 657/4885
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885POLB 2043/4885TDP1 1322/4885
US-20150258082-A1 COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS GLS, GLUL, GLS2 GLS 1/4885POLB 1673/4885TDP1 767/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885POLB 2684/4885TDP1 1546/4885

“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.