SCHEMBL15748898

SCHEMBL15748898

O=C(Nc1nnc(C/C=C\Cc2nnc(NC(=O)c3ccccc3)s2)s1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.70
▸ RAB9A P51151 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ SRC P12931 1/20 0.68
▸ CASP3 P42574 1/20 0.68
▸ SENP7 Q9BQF6 1/20 0.68
▸ SENP6 Q9GZR1 1/20 0.68
▸ GLS O94925 3/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ TP53 P04637 2/20 0.60
▸ RXFP1 Q9HBX9 2/20 0.59
▸ ABL1 P00519 1/20 0.57
▸ LMNA P02545 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.55
▸ CSNK2A2 P19784 1/20 0.55
▸ CSNK2A1 P68400 1/20 0.55

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
SCHEMBL21443390 0.93 NPC1 (0.66) NPC1RAB9AKMT2AMEN1SRC
SCHEMBL31654008 0.82 NPC1 (1.00) NPC1RAB9AKMT2AMEN1SRC
SCHEMBL21360253 0.82 NPSR1 (0.49) NPC1RAB9AKMT2AMEN1SRC
SCHEMBL31060226 0.81 NPC1 (1.00) NPC1RAB9AKMT2AMEN1SRC
SCHEMBL14986988 0.80 GLS (1.00) NPC1RAB9AKMT2AMEN1SRC
SCHEMBL14986984 0.80 GLS (0.73) GLS
SCHEMBL15655625 0.77 NPC1 (0.82) NPC1RAB9AKMT2AMEN1SRC
SCHEMBL11480689 0.75 CSNK2A2 (0.83) NPC1RAB9AKMT2AMEN1SRC
SCHEMBL2664519 0.75 SMN1; SMN2 (0.67) NPC1RAB9AKMT2AMEN1SRC
SCHEMBL10991652 0.75 GLS (0.72) NPC1RAB9AKMT2AMEN1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922832-B1 GLUTAMINASE INHIBITORS AND METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-10-09 — — EP disclosed
US-10414740-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2019-09-17 — — US disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 — — US disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 — — US disclosed
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2015-10-22 — — US disclosed
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2015-10-22 — — US disclosed
WO-2014081925-A1 GLUTAMASE INHIBITORS AND METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 — — 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 (3 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-10011574-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL NPC1 3268/4885RAB9A 2293/4885KMT2A 1144/4885
US-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL NPC1 3268/4885RAB9A 2293/4885KMT2A 1144/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL NPC1 3177/4885RAB9A 2289/4885KMT2A 1107/4885

“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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