SCHEMBL14987150

SCHEMBL14987150

N#CCCC#Cc1ccc(NC(=O)Cc2ccccc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 9/20 0.52
▸ DEGS1 O15121 1/20 0.45
▸ CACNA1G O43497 2/20 0.43
▸ CACNA1I Q9P0X4 2/20 0.43
▸ ELOVL1 Q9BW60 1/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ WNT3A P56704 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CACNA1H O95180 1/20 0.40
▸ RPS27 P42677 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39

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
SCHEMBL17396693 0.88 GLS (0.54) GLSDEGS1CACNA1GCACNA1IELOVL1
SCHEMBL28803970 0.84 GLS (0.43) GLS
SCHEMBL14986958 0.83 GLS (0.60) GLSDEGS1CACNA1GCACNA1IELOVL1
SCHEMBL29679027 0.82 GLS (0.53) GLS
SCHEMBL15728060 0.82 GLS (0.53) GLS
SCHEMBL14986962 0.78 GLS (0.60) GLSDEGS1CACNA1GCACNA1IELOVL1
SCHEMBL14975908 0.76 GLS (0.81) GLS
SCHEMBL17395550 0.76 ELOVL1 (0.44) GLSDEGS1CACNA1GCACNA1IELOVL1
SCHEMBL17390786 0.73 GLS (0.39) GLSDEGS1CACNA1GCACNA1IELOVL1
SCHEMBL17404993 0.72 ABL1 (0.48) GLSDEGS1CACNA1GCACNA1IELOVL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954686-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS Calithera Biosciences, Inc. (US) 2022-02-16 — — EP disclosed
US-20210292289-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. 2021-09-23 — — US disclosed
EP-2920168-B1 HETEROCYCLIC GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES INC (US) 2021-07-21 — — EP disclosed
US-10793535-B2 Heterocyclic glutaminase inhibitors CALITHERA BIOSCIENCES, INC. (US) 2020-10-06 — — US 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
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
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-20140194421-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. (US) 2014-07-10 — — US disclosed
WO-2014089048-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2014-06-12 — — WO disclosed
WO-2014078645-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. (US) 2014-05-22 — — 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 (9 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-10793535-B2 Heterocyclic glutaminase inhibitors GLS, GLS2, GLUL GLS 1/4885DEGS1 3716/4885CACNA1G 4054/4885
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885DEGS1 3703/4885CACNA1G 3968/4885
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885DEGS1 3703/4885CACNA1G 3968/4885
US-20140194421-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS GLS, GLS2, GLUL GLS 1/4885DEGS1 3716/4885CACNA1G 4054/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL GLS 1/4885DEGS1 3703/4885CACNA1G 3968/4885
US-20210292289-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS GLS, GLS2, GLUL GLS 1/4885DEGS1 3716/4885CACNA1G 4054/4885
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885DEGS1 3703/4885CACNA1G 3968/4885
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885DEGS1 3392/4885CACNA1G 4167/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885DEGS1 3703/4885CACNA1G 3968/4885

“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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