SCHEMBL15725178

SCHEMBL15725178

O=C(Cc1cc(N2CC(O)C2)ccn1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cc(N5CC(O)C5)ccn4)s3)C2)s1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 11/20 0.65
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL15752646 0.95 GLS (0.59) GLSPKMSMN1; SMN2MAPTMEN1
SCHEMBL17172640 0.95 GLS (0.59) GLSPKMSMN1; SMN2MAPTMEN1
SCHEMBL20392402 0.92 GLS (0.56) GLSPKMSMN1; SMN2MAPTMEN1
SCHEMBL15725182 0.92 GLS (0.64) GLSPKMSMN1; SMN2MAPTMEN1
SCHEMBL15725185 0.91 GLS (0.67) GLSPKMSMN1; SMN2MAPTMEN1
SCHEMBL17172664 0.88 GLS (0.59) GLSPKMSMN1; SMN2MAPTMEN1
SCHEMBL15725181 0.87 GLS (0.63) GLSPKMSMN1; SMN2
SCHEMBL17172641 0.87 GLS (0.58) GLSPKMSMN1; SMN2MAPTMEN1
SCHEMBL17172548 0.86 GLS (0.57) GLS
SCHEMBL20392348 0.86 GLS (0.51) GLSMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 — — EP 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
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 — — EP 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
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 (2 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 1/4885PKM 245/4885SMN1; SMN2 3742/4885
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885PKM 274/4885SMN1; 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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