SCHEMBL17654083

SCHEMBL17654083

Nc1nnc(OC2CN(c3nnc(N)s3)C2)s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 11/20 0.54
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 3/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 3/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GFER P55789 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ACACB O00763 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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 0.87 GLS (0.57) GLSALDH1A1MAPK1GAAHSD17B10
SCHEMBL17654178 0.87 GLS (0.57) GLSALDH1A1MAPK1GAAHSD17B10
SCHEMBL17654151 0.87 GLS (0.57) GLSALDH1A1MAPK1GAAHSD17B10
SCHEMBL17654094 0.83 ALDH1A1 (0.61) GLSALDH1A1MAPK1GAAHSD17B10
SCHEMBL17654108 0.81 ALDH1A1 (0.44) GLSALDH1A1MAPK1GAAHSD17B10
SCHEMBL24770854 0.75 SMN1; SMN2 (0.38) GLSALDH1A1MAPK1GAAHSD17B10
SCHEMBL8124490 0.74 ALDH1A1 (0.58) GLSALDH1A1MAPK1GAAHSD17B10
SCHEMBL17654075 0.73 GLS (0.44) GLSHSD17B10SMN1; SMN2
SCHEMBL17654088 0.73 GLS (0.50) GLSALDH1A1MAPK1GAAHSD17B10
SCHEMBL17654149 0.73 GLS (0.50) GLSALDH1A1MAPK1GAAHSD17B10

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 959/4885MAPK1 1198/4885
US-10245254-B2 Glutaminase inhibitors GLUL, ASNS, GLS GLS 3/4885ALDH1A1 959/4885MAPK1 1198/4885
US-20190167648-A1 GLUTAMINASE INHIBITORS GLUL, ASNS, GLS GLS 3/4885ALDH1A1 968/4885MAPK1 1316/4885
US-11013724-B2 Glutaminase inhibitors GLUL, ASNS, GLS GLS 3/4885ALDH1A1 968/4885MAPK1 1316/4885

“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.