SCHEMBL17654151

SCHEMBL17654151

Nc1nnc(O[C@@H]2CCN(c3nnc(N)s3)C2)s1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLS O94925 14/20 0.57
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 2/20 0.47
HSD17B10 Q99714 1/20 0.47
GFER P55789 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL17654175 1.00 GLS (0.57) GLSALDH1A1HPGDMAPK1KDM4E
SCHEMBL17654178 1.00 GLS (0.57) GLSALDH1A1HPGDMAPK1KDM4E
SCHEMBL17654094 0.91 ALDH1A1 (0.61) GLSALDH1A1HPGDMAPK1KDM4E
SCHEMBL17654083 0.87 GLS (0.54) GLSALDH1A1HPGDMAPK1KDM4E
SCHEMBL17654149 0.80 GLS (0.50) GLSALDH1A1HPGDMAPK1KDM4E
SCHEMBL17654088 0.80 GLS (0.50) GLSALDH1A1HPGDMAPK1KDM4E
SCHEMBL17654141 0.77 ALDH1A1 (0.55) GLSALDH1A1HPGDMAPK1KDM4E
SCHEMBL18006623 0.76 ALDH1A1 (0.68) GLSALDH1A1HPGDMAPK1KDM4E
SCHEMBL2945529 0.76 SCD (0.58) GLSALDH1A1HPGDMAPK1KDM4E
SCHEMBL2945534 0.76 SCD (0.58) GLSALDH1A1HPGDMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013724-B2 Glutaminase inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-05-25 US disclosed
US-11013724-B2 Glutaminase inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-05-25 US disclosed
US-20190167648-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-06-06 US disclosed
US-20190167648-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-06-06 US disclosed
US-10245254-B2 Glutaminase inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-04-02 US disclosed
US-10245254-B2 Glutaminase inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-04-02 US disclosed
US-20170290815-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-12 US disclosed
US-20170290815-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-12 US disclosed
US-20170290815-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-12 US disclosed
WO-2016054388-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-04-07 WO disclosed
WO-2016054388-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-04-07 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 (4 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-20170290815-A1 GLUTAMINASE INHIBITORS GLUL, ASNS, GLS GLS 3/4885ALDH1A1 959/4885HPGD 1767/4885
US-10245254-B2 Glutaminase inhibitors GLUL, ASNS, GLS GLS 3/4885ALDH1A1 959/4885HPGD 1767/4885
US-20190167648-A1 GLUTAMINASE INHIBITORS GLUL, ASNS, GLS GLS 3/4885ALDH1A1 968/4885HPGD 1751/4885
US-11013724-B2 Glutaminase inhibitors GLUL, ASNS, GLS GLS 3/4885ALDH1A1 968/4885HPGD 1751/4885

“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.