SCHEMBL14986988

SCHEMBL14986988

O=C(Nc1nnc(CCSCCc2nnc(NC(=O)c3ccccc3)s2)s1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 16/20 1.00
▸ NPC1 O15118 2/20 0.73
▸ RAB9A P51151 2/20 0.73
▸ SRC P12931 1/20 0.73
▸ CASP3 P42574 1/20 0.73
▸ SENP7 Q9BQF6 1/20 0.73
▸ SENP6 Q9GZR1 1/20 0.73
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.62
▸ ABL1 P00519 1/20 0.62

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
SCHEMBL31060226 0.84 NPC1 (1.00) GLSNPC1RAB9ASRCCASP3
SCHEMBL15043795 0.83 GLS (1.00) GLSNPC1RAB9AMEN1KMT2A
SCHEMBL22623443 0.82 GLS (0.68) GLSNPC1RAB9ASRCCASP3
SCHEMBL2640644 0.81 GLS (1.00) GLS
SCHEMBL14987450 0.81 GLS (1.00) GLS
SCHEMBL21443484 0.81 GLS (0.73) GLS
SCHEMBL15724893 0.80 GLS (0.67) GLS
SCHEMBL14987420 0.80 GLS (0.79) GLSNPC1RAB9A
SCHEMBL31654008 0.80 NPC1 (1.00) GLSNPC1RAB9ASRCCASP3
SCHEMBL15748898 0.80 NPC1 (0.70) GLSNPC1RAB9ASRCCASP3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 — — US disclosed
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 — — US disclosed
US-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE LIANG YU (US) 2018-03-01 — — US disclosed
US-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE LIANG YU (US) 2018-03-01 — — US disclosed
US-20170369485-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE SYNHALE THERAPEUTICS INC. 2017-12-28 — — US disclosed
WO-2016164401-A1 TREATMENT OF LUNG CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2016-10-13 — — WO disclosed
US-20160287564-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. 2016-10-06 — — US 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
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2014-12-18 — — US disclosed
US-8865718-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES INC. (US) 2014-10-21 — — 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-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
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 1/4885NPC1 3090/4885RAB9A 1977/4885
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885NPC1 3090/4885RAB9A 1977/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL GLS 1/4885NPC1 3090/4885RAB9A 1977/4885
US-10441587-B2 Treatment of lung cancer with inhibitors of glutaminase KRAS, GLS, GLUL GLS 2/4885NPC1 4539/4885RAB9A 412/4885
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885NPC1 3090/4885RAB9A 1977/4885
US-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885NPC1 1294/4885RAB9A 1300/4885
US-20160287564-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS GLS, GLS2, GLUL GLS 1/4885NPC1 3088/4885RAB9A 1549/4885
US-20170369485-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885NPC1 3090/4885RAB9A 1977/4885
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885NPC1 3037/4885RAB9A 2117/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885NPC1 3090/4885RAB9A 1977/4885

“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.

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