SCHEMBL1935976

SCHEMBL1935976

COc1c(N)cc(C(C)(C)C)cc1CN(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.53
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
CYP2D6 P10635 2/20 0.37
TSHR P16473 1/20 0.37
SLC6A4 P31645 7/20 0.37
SLC6A2 P23975 6/20 0.37
SLC6A3 Q01959 5/20 0.37
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
NOS1 P29475 1/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 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
SCHEMBL1404655 0.87 CYP2C19 (0.40) CYP2C19CYP1A2ALOX15MAPK1HTT
SCHEMBL5110263 0.86 SLC6A4 (0.46) CYP2C19ALOX15MAPK1HTTCYP2D6
SCHEMBL10104434 0.83 CYP2C19 (0.56) CYP2C19CYP1A2ALOX15MAPK1HTT
SCHEMBL14612535 0.81 POLB (0.35) CYP2C19MEN1ALDH1A1KMT2AGAA
SCHEMBL12401769 0.81 CYP2C19 (0.53) CYP2C19CYP1A2ALOX15MAPK1HTT
SCHEMBL689446 0.80 MAPT (0.41) CYP2C19CYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL690103 0.78 POLB (0.44) MAPK1TSHRMEN1ALDH1A1KMT2A
SCHEMBL13130527 0.78 CYP2C19 (0.50) CYP2C19CYP1A2ALOX15MAPK1HTT
SCHEMBL13458465 0.78 CYP2C19 (0.54) CYP2C19CYP1A2ALOX15MAPK1HTT
SCHEMBL5110866 0.78 CYP2C19 (0.50) CYP2C19CYP1A2ALOX15MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP claimed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO claimed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-20140187539-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 US disclosed
US-20140187539-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 US disclosed
US-20140187539-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 US disclosed
US-8735579-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-8735579-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-20120108572-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108572-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
EP-2331506-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP disclosed
WO-2010026095-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 US disclosed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP disclosed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 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 (3 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-20140187539-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS HRH2, HRH1, HRH4 CYP2C19 139/4885CYP1A2 46/4885ALOX15 931/4885
US-20120108572-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS HRH2, HRH1, HRH4 CYP2C19 139/4885CYP1A2 46/4885ALOX15 931/4885
US-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 CYP2C19 1229/4885CYP1A2 1201/4885ALOX15 454/4885

“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.