SCHEMBL14986945

SCHEMBL14986945

Nc1nnc(CCCCCc2nnc(N)s2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
POLB P06746 3/20 1.00
GLS O94925 5/20 0.61
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 1/20 0.55
ATM Q13315 1/20 0.53
F2 P00734 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL15709879 1.00 ALDH1A1 (1.00) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL14975757 0.97 ALDH1A1 (0.95) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL14977428 0.92 ALDH1A1 (0.86) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL9470312 0.89 ALDH1A1 (1.00) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL282603 0.89 POLB (0.80) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL23016888 0.89 ALDH1A1 (1.00) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL11425081 0.89 ALDH1A1 (1.00) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL28058879 0.89 ALDH1A1 (1.00) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL17402474 0.89 ALDH1A1 (0.79) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL15727725 0.88 POLB (0.77) ALDH1A1POLBGLSL3MBTL1GAA

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 US disclosed
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2019-10-17 US disclosed
EP-2922832-B1 GLUTAMINASE INHIBITORS AND METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-10-09 EP disclosed
EP-2922832-B1 GLUTAMINASE INHIBITORS AND METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-10-09 EP disclosed
EP-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 EP disclosed
US-10414740-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-10414740-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
CN-105263915-B Glutamine enzyme inhibitor and application method 安吉奥斯医药品有限公司 2019-04-12 CN disclosed
US-20180370930-A1 GLUTAMINASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2018-12-27 US disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
WO-2014089048-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2014-06-12 WO disclosed
WO-2014081925-A1 GLUTAMASE INHIBITORS AND METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 US disclosed
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 US disclosed
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 US disclosed
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2014-02-20 US disclosed
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2014-02-20 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 US disclosed
WO-2013078123-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-05-30 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 (8 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-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL ALDH1A1 639/4885POLB 2684/4885GLS 1/4885
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL ALDH1A1 639/4885POLB 2684/4885GLS 1/4885
US-10011574-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL ALDH1A1 553/4885POLB 520/4885GLS 1/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL ALDH1A1 639/4885POLB 2684/4885GLS 1/4885
US-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL ALDH1A1 553/4885POLB 520/4885GLS 1/4885
US-20180370930-A1 GLUTAMINASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL ALDH1A1 553/4885POLB 520/4885GLS 1/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL ALDH1A1 639/4885POLB 2684/4885GLS 1/4885
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL ALDH1A1 444/4885POLB 381/4885GLS 1/4885

“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.