SCHEMBL15725174

SCHEMBL15725174

CCOc1ccnc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5cc(OCC)ccn5)s4)C3)s2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 10/20 0.67
▸ ALDH1A1 P00352 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL15725080 0.91 GLS (0.68) GLSALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15725081 0.91 GLS (0.68) GLSALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15752577 0.91 GLS (0.56) GLSALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15752636 0.90 GLS (0.64) GLSALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL17172565 0.89 GLS (0.60) GLSALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15752629 0.88 GLS (0.66) GLSRAB9AMEN1KMT2A
SCHEMBL15725216 0.87 GLS (0.67) GLSALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL15725156 0.85 GLS (0.66) GLSALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15752574 0.85 GLS (0.66) GLSSMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL17172623 0.85 GLS (0.60) GLSALDH1A1SMN1; SMN2HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689375-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2020-06-23 — — US 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-10000479-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-06-19 — — US disclosed
US-10000479-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-06-19 — — US disclosed
US-20170137414-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2017-05-18 — — US disclosed
US-20170137414-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2017-05-18 — — US 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
WO-2015143340-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2015-09-24 — — WO 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-2014079150-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 — — WO 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
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 (6 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 1/4885ALDH1A1 196/4885SMN1; SMN2 3742/4885
US-20170137414-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 444/4885SMN1; SMN2 3566/4885
US-20190084976-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 444/4885SMN1; SMN2 3566/4885
US-10000479-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885ALDH1A1 444/4885SMN1; SMN2 3566/4885
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 444/4885SMN1; SMN2 3566/4885
US-10689375-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885ALDH1A1 444/4885SMN1; SMN2 3566/4885

“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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