SCHEMBL14975757

SCHEMBL14975757

Nc1nnc(CCCCc2nnc(N)s2)s1

nearest known ligand 0.95

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.95
POLB P06746 3/20 0.95
GLS O94925 5/20 0.64
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 1/20 0.57
ATM Q13315 1/20 0.55
F2 P00734 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL14986945 0.97 ALDH1A1 (1.00) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL15709879 0.97 ALDH1A1 (1.00) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL14977428 0.95 ALDH1A1 (0.86) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL17402474 0.91 ALDH1A1 (0.79) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL11412602 0.89 ALDH1A1 (0.96) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL7321598 0.89 ALDH1A1 (0.76) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL10952704 0.89 ALDH1A1 (0.76) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL1968819 0.88 ALDH1A1 (0.88) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL23016888 0.87 ALDH1A1 (1.00) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL11425081 0.87 ALDH1A1 (1.00) 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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603217-B1 NOVEL 6,7-DISUBSTITUTED-ISOQUINOLINE DERIVATIVES AND THEIR USE MONTISERA LTD (FI) 2015-04-08 EP claimed
US-8815898-B2 6,7-disubstituted-sioquinoline derivatives and their use MONTISERA LTD (FI) 2014-08-26 US claimed
US-20130137719-A1 Novel 6,7-disubstituted-sioquinoline derivatives and their use MONTISERA LTD (FI) 2013-05-30 US claimed
WO-2023022430-A1 NOVEL MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER OR AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2023-02-23 WO disclosed
WO-2023022430-A1 NOVEL MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER OR AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2023-02-23 WO disclosed
CN-108785305-B Heterocyclic inhibitors of glutaminase 卡利泰拉生物科技公司 2021-10-29 CN disclosed
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 US disclosed
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 US disclosed
EP-3620162-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE Calithera Biosciences Inc. (US) 2020-03-11 EP disclosed
CN-104220070-B Heterocyclic inhibitors of glutaminase 卡利泰拉生物科技公司 2020-01-21 CN disclosed
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2019-10-17 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-8604016-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES INC. (US) 2013-12-10 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
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
WO-2013078123-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-05-30 WO disclosed
US-20130137719-A1 Novel 6,7-disubstituted-sioquinoline derivatives and their use MONTISERA LTD (FI) 2013-05-30 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 (5 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-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL ALDH1A1 639/4885POLB 2684/4885GLS 1/4885
US-20130137719-A1 Novel 6,7-disubstituted-sioquinoline derivatives and their use OPRM1, OPRK1, SULT2A1 ALDH1A1 285/4885POLB 2825/4885GLS 492/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL ALDH1A1 639/4885POLB 2684/4885GLS 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.