SCHEMBL943797

SCHEMBL943797

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(Br)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.37
CLK1 P49759 1/20 0.37
BACE1 P56817 1/20 0.37
PAX8 Q06710 1/20 0.35
HTR1A P08908 1/20 0.34
SYK P43405 1/20 0.34
GRM5 P41594 1/20 0.33
HTR7 P34969 1/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
GAA P10253 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.32
SOS1 Q07889 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL68085 0.86 PAX8 (0.42) SSTR4CLK1BACE1PAX8HTR1A
SCHEMBL959885 0.84 GRM5 (0.38) PAX8SYKGRM5MEN1RAB9A
SCHEMBL2248255 0.83 SSTR4 (0.36) SSTR4BACE1PAX8HTR1ASYK
SCHEMBL24136431 0.83 PAX8 (0.34) SSTR4PAX8SYKMEN1NPC1
SCHEMBL26332181 0.83 PAX8 (0.34) SSTR4PAX8SYKMEN1NPC1
SCHEMBL10261793 0.82 USP30 (0.39) SSTR4CLK1BACE1PAX8HTR1A
SCHEMBL960170 0.82 SSTR4 (0.34) SSTR4PAX8SYKMEN1NPC1
SCHEMBL13447982 0.81 KDM4E (0.47) PAX8SYKMEN1NPC1RAB9A
SCHEMBL19477815 0.80 SSTR4 (0.35) SSTR4PAX8SYKMEN1NPC1
SCHEMBL20388075 0.80 SYK (0.36) SSTR4PAX8SYKCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260055108-A1 TRIAZINE COMPOUNDS AND USES THEREOF HUTCHMED LTD (CN) 2026-02-26 US disclosed
CN-117917406-A Heterocyclic compounds, process for their preparation and their use 四川科伦博泰生物医药股份有限公司 2024-04-23 CN disclosed
US-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2023-05-04 US disclosed
US-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2023-05-04 US disclosed
EP-3954686-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS Calithera Biosciences, Inc. (US) 2022-02-16 EP disclosed
EP-3050878-B1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORP (JP) 2021-10-27 EP disclosed
US-20210292289-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. 2021-09-23 US disclosed
EP-3858824-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2021-08-04 EP disclosed
EP-2920168-B1 HETEROCYCLIC GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES INC (US) 2021-07-21 EP disclosed
EP-3363797-B1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-12-02 EP disclosed
US-8552196-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-10-08 US disclosed
WO-2013104573-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
WO-2013104575-A1 THIENOPYRIMIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS HOFFMAN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8378108-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-02-19 US disclosed
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC (US) 2013-02-07 US disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 US disclosed
WO-2012076989-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2012-06-14 WO disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 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 (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-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 SSTR4 1325/4885CLK1 2142/4885BACE1 2370/4885
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS SYK, BTK, IRAK2 SSTR4 1944/4885CLK1 3219/4885BACE1 4027/4885
US-20210292289-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS GLS, GLS2, GLUL SSTR4 1551/4885CLK1 2385/4885BACE1 1200/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 SSTR4 4414/4885CLK1 1008/4885BACE1 863/4885
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS SYK, BTK, LCK SSTR4 2560/4885CLK1 3880/4885BACE1 3388/4885
US-20260055108-A1 TRIAZINE COMPOUNDS AND USES THEREOF CBR1, CNR1, CBR3 SSTR4 80/4885CLK1 2432/4885BACE1 1843/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 SSTR4 4328/4885CLK1 884/4885BACE1 941/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 SSTR4 4449/4885CLK1 942/4885BACE1 997/4885

“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.