SCHEMBL14843503

SCHEMBL14843503

O=C1CCc2ccc(CBr)cc2N1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.57
MAOB P27338 16/20 0.56
MAOA P21397 14/20 0.56
NPC1 O15118 1/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
CRBN Q96SW2 1/20 0.44
CMA1 P23946 1/20 0.42
AHR P35869 1/20 0.42

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
SCHEMBL29754233 1.00 CA9 (0.57) CA9MAOBMAOANPC1MAPK13
SCHEMBL23725485 0.90 MAPT (0.53) CA9MAOBMAOANPC1MAPK13
SCHEMBL14796816 0.86 MAOA (0.51) CA9MAOBMAOANPC1MAPK13
SCHEMBL17969088 0.84 CA9 (0.59) CA9MAOBMAOANPC1MAPK13
SCHEMBL290258 0.84 AHR (0.61) CA9MAOBMAOACRBNCMA1
SCHEMBL13156609 0.83 CA9 (0.62) CA9MAOBMAOANPC1MAPK13
SCHEMBL29754234 0.83 CA9 (0.57) CA9MAOBMAOANPC1MAPK13
SCHEMBL2221081 0.83 CA9 (0.57) CA9MAOBMAOANPC1MAPK13
SCHEMBL2633105 0.83 CA9 (0.57) CA9MAOBMAOANPC1MAPK13
SCHEMBL28778388 0.82 CA9 (0.53) CA9MAOBMAOANPC1MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436955-A Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof 复旦大学 2022-05-06 CN disclosed
US-10604532-B2 Substituted benzylindazoles for use as BUB1 kinase inhibitors in the treatment of hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2020-03-31 US disclosed
US-10604532-B2 Substituted benzylindazoles for use as BUB1 kinase inhibitors in the treatment of hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2020-03-31 US disclosed
US-20190284206-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-09-19 US disclosed
US-20190284206-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-09-19 US disclosed
US-10266548-B2 Substituted benzylindazoles for use as Bub1 kinase inhibitors in the treatment of hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-04-23 US disclosed
US-10266548-B2 Substituted benzylindazoles for use as Bub1 kinase inhibitors in the treatment of hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-04-23 US disclosed
EP-2763982-B1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES. Bayer Pharma AG (DE) 2018-01-10 EP disclosed
US-20170260198-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-09-14 US disclosed
US-20170260198-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-09-14 US disclosed
CN-103974948-B Substituted benzyl indazoles as BUB1 kinase inhibitors in the treatment of hyperproliferative diseases 拜耳医药股份有限公司 2017-07-28 CN disclosed
US-9265763-B2 2016-02-23 US disclosed
US-9265763-B2 2016-02-23 US disclosed
US-9265763-B2 2016-02-23 US disclosed
US-20140249133-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-04 US disclosed
US-20140249133-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-04 US disclosed
US-20140249133-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-04 US disclosed
EP-2763982-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES. Bayer Pharma Aktiengesellschaft (DE) 2014-08-13 EP disclosed
WO-2013050438-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES. BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-04-11 WO disclosed
WO-2013050438-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES. BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-04-11 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 (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-10604532-B2 Substituted benzylindazoles for use as BUB1 kinase inhibitors in the treatment of hyperproliferative diseases BUB1, BUB1B, BUB3 CA9 4297/4885MAOB 3504/4885MAOA 4251/4885
US-20140249133-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BUB1, BUB1B, BUB3 CA9 4286/4885MAOB 3539/4885MAOA 4272/4885
US-20170260198-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BUB1, BUB1B, BUB3 CA9 4230/4885MAOB 3644/4885MAOA 4274/4885
US-20190284206-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BUB1, BUB1B, BUB3 CA9 4297/4885MAOB 3504/4885MAOA 4251/4885
US-10266548-B2 Substituted benzylindazoles for use as Bub1 kinase inhibitors in the treatment of hyperproliferative diseases BUB1, BUB1B, BUB3 CA9 4297/4885MAOB 3504/4885MAOA 4251/4885

“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.