SCHEMBL688542

SCHEMBL688542

COc1c(N)cc(C(C)(C)C)cc1C(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.36
RXRA P19793 1/20 0.36
PPARG P37231 1/20 0.36
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
CFTR P13569 2/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL690317 0.85 RARG (0.36) RARGRXRAPPARGMAPTMEN1
SCHEMBL13960086 0.84 RARG (0.37) RARGRXRAPPARGMAPTALDH1A1
SCHEMBL1600588 0.83 HSD17B10 (0.44) RARGRXRAPPARGMAPTMEN1
SCHEMBL1404705 0.83 RARG (0.38) RARGRXRAPPARGMAPTMEN1
SCHEMBL1303731 0.81 CFTR (0.49) RARGRXRAPPARGMAPTMEN1
SCHEMBL13130524 0.79 RARG (0.34) RARGRXRAPPARGPDE3BPDE3A
SCHEMBL5118526 0.79 MAPT (0.38) RARGRXRAPPARGMAPTMEN1
SCHEMBL688617 0.77 HPGD (0.44) MAPTMEN1ALDH1A1PKMKMT2A
SCHEMBL1404537 0.76 HTT (0.43) ALDH1A1KMT2ASMN1; SMN2GSK3A
SCHEMBL690103 0.76 POLB (0.44) RARGRXRAPPARGMAPTMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981535-B1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS TOPIVERT PHARMA LTD (GB) 2020-12-16 EP disclosed
US-10435361-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-10-08 US disclosed
US-20180044288-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2018-02-15 US disclosed
US-9790174-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-17 US disclosed
US-20160376232-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-12-29 US disclosed
US-9481648-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2016-11-01 US disclosed
EP-2981535-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS Respivert Limited (GB) 2016-02-10 EP disclosed
US-20150166483-A1 KINASE INHIBITORS RESPIVERT LTD (GB) 2015-06-18 US disclosed
WO-2014162126-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-10-09 WO disclosed
US-20140296208-A1 KINASE INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2014-10-02 US disclosed
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
EP-2323980-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 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 (6 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-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases MAPKAPK2, MAPKAPK5, MAPK7 RARG 4055/4885RXRA 2611/4885PPARG 466/4885
US-20180044288-A1 KINASE INHIBITORS SYK, LYN, BTK RARG 3974/4885RXRA 1759/4885PPARG 4638/4885
US-20160376232-A1 KINASE INHIBITORS LYN, SYK, LCK RARG 3932/4885RXRA 4049/4885PPARG 1620/4885
US-20150166483-A1 KINASE INHIBITORS LCK, SYK, FYN RARG 4632/4885RXRA 4543/4885PPARG 2711/4885
US-10435361-B2 Kinase inhibitors SYK, LYN, BTK RARG 3974/4885RXRA 1759/4885PPARG 4638/4885
US-20140296208-A1 KINASE INHIBITORS SYK, LYN, BTK RARG 3974/4885RXRA 1759/4885PPARG 4638/4885

“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.