SCHEMBL689446

SCHEMBL689446

COc1c(N)cc(C(C)(C)C)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 2/20 0.36
MAPK14 Q16539 1/20 0.36
KLF10 Q13118 1/20 0.36
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
PDE1A P54750 3/20 0.36
PDE1B Q01064 3/20 0.36
PDE3B Q13370 3/20 0.36
PDE1C Q14123 3/20 0.36
PDE3A Q14432 3/20 0.36
PDE5A O76074 2/20 0.36

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
SCHEMBL18610098 0.85 MAPT (0.40) MAPTALDH1A1PDE4APDE4BPDE4C
SCHEMBL14612535 0.84 POLB (0.35) MAPTMEN1ALDH1A1GAAPKM
SCHEMBL12929955 0.82 MAPT (0.43) MAPTALDH1A1CYP2C19MAPK14KLF10
SCHEMBL27935808 0.82 MAPT (0.43) MAPTCYP2C19MAPK14KLF10PDE4A
SCHEMBL690103 0.81 POLB (0.44) MAPTMEN1ALDH1A1GAAPKM
SCHEMBL16829546 0.81 GSK3A (0.40) MAPK14
SCHEMBL6407060 0.81 MAPT (0.42) MAPTALDH1A1GAACYP2C19MAPK14
SCHEMBL5117065 0.80 GAA (0.38) MAPTMEN1ALDH1A1GAAPKM
SCHEMBL1934356 0.80 MEN1 (0.36) MAPTMEN1ALDH1A1GAAPKM
SCHEMBL1935976 0.80 CYP2C19 (0.53) MAPTMEN1ALDH1A1GAAPKM

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 47 patents — showing the first 20. 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
EP-3394059-B1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS CHIESI FARM SPA (IT) 2020-11-25 EP disclosed
US-10435361-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-10-08 US disclosed
EP-3394059-A1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2018-10-31 EP disclosed
US-10100050-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2018-10-16 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
WO-2017108737-A1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-29 WO disclosed
US-20170183345-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-29 US disclosed
EP-2484661-B1 2,3-DIHYDRO-1H-INDENE-2-YLUREA DERIVATIVE AND PHARMACEUTICAL APPLICATION OF SAME TORAY INDUSTRIES (JP) 2017-04-26 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-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 US disclosed
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 US disclosed
EP-2331506-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP 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-2010026095-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO 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
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
WO-2009003999-A2 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 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 MAPT 1554/4885MEN1 4674/4885ALDH1A1 1231/4885
US-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 MAPT 3933/4885MEN1 103/4885ALDH1A1 75/4885
US-20180044288-A1 KINASE INHIBITORS SYK, LYN, BTK MAPT 3802/4885MEN1 4275/4885ALDH1A1 4408/4885
US-10100050-B2 Kinase inhibitors MAPK1, MAP3K1, MAP3K6 MAPT 3130/4885MEN1 4752/4885ALDH1A1 1830/4885
US-20170183345-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K6 MAPT 3130/4885MEN1 4752/4885ALDH1A1 1830/4885
US-10435361-B2 Kinase inhibitors SYK, LYN, BTK MAPT 3802/4885MEN1 4275/4885ALDH1A1 4408/4885

“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.