SCHEMBL2703282

SCHEMBL2703282

COC(OC)c1ccnc(CN)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 4/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.39
LOXL2 Q9Y4K0 2/20 0.36
LOX P28300 1/20 0.36
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL16815340 0.84 KMT2A (0.45) L3MBTL1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL16815804 0.82 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL16815728 0.81 KMT2A (0.46) L3MBTL1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL16815528 0.81 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL22725615 0.79 CHRNA7 (0.35) LOXL2LOXPOLB
SCHEMBL16815578 0.79 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL16815720 0.78 KMT2A (0.41) L3MBTL1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL16815360 0.78 KMT2A (0.44) L3MBTL1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL20971432 0.78 SMN1; SMN2 (0.43) L3MBTL1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL16815416 0.77 HTR7 (0.51) L3MBTL1SMN1; SMN2KMT2ARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809358-B2 Use of IκB-kinase inhibitors in pain therapy SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-08-19 US disclosed
US-8778955-B2 Indole derivatives or benzimidazole derivatives for modulating IkB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-07-15 US disclosed
EP-2233483-B1 Indole or Benzimidazole derivatives as IkB-kinase modulators and intermediates in their preparation. SANOFI AVENTIS DEUTSCHLAND (DE) 2012-05-09 EP disclosed
EP-1530568-B1 INDOLE OR BENZIMIDAZOLE DERIVATIVES FOR MODULATING I&kB KINASE SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 EP disclosed
EP-2233483-A1 Indole or Benzimidazole derivatives as IkB-kinase modulators and intermediates in their preparation. Sanofi-Aventis Deutschland GmbH (DE) 2010-09-29 EP disclosed
US-20090069358-A1 Use of IKappaB-Kinase Inhibitors in Pain Therapy SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
EP-1531819-B1 USE OF I kappa B KINASE INHIBITORS FOR THE TREATMENT OF PAIN SANOFI AVENTIS DEUTSCHLAND (DE) 2008-12-24 EP disclosed
US-7462638-B2 Use of IκB-kinase inhibitors in pain therapy SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7307088-B2 Substituted anthranilic amide derivatives and methods of use AMGEN INC. (US) 2007-12-11 US disclosed
US-7285560-B2 Indole derivatives or benzimidazole derivatives for modulating IκB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-23 US disclosed
US-20070244139-A1 Indole Derivatives or Benzimidazole Derivatives for Modulating IkB Kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-18 US disclosed
US-20050197353-A1 Indole derivatives or benzimidazole derivatives for modulating IkB kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-08 US disclosed
EP-1531819-A1 USE OF I kappa B KINASE INHIBITORS FOR THE TREATMENT OF PAIN Aventis Pharma Deutschland GmbH (DE) 2005-05-25 EP disclosed
EP-1530568-A1 INDOLE OR BENZIMIDAZOLE DERIVATIVES FOR MODULATING I&kB KINASE Aventis Pharma Deutschland GmbH (DE) 2005-05-18 EP disclosed
EP-1519921-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-04-06 EP disclosed
US-20040116494-A1 Use of IkappaB-kinase inhibitors in pain therapy AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 US disclosed
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 US disclosed
WO-2004022057-A1 USE OF IκB KINASE INHIBITORS FOR THE TREATMENT OF PAIN AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-03-18 WO disclosed
WO-2004022553-A1 INDOLE OR BENZIMIDAZOLE DERIVATIVES FOR MODULATING IκB KINASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-03-18 WO disclosed
WO-2004005279-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-15 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 (4 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-20070244139-A1 Indole Derivatives or Benzimidazole Derivatives for Modulating IkB Kinase IKBKB, IKBKG, IKBKE L3MBTL1 1780/4885SMN1; SMN2 3861/4885KMT2A 1433/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 L3MBTL1 3094/4885SMN1; SMN2 3639/4885KMT2A 1930/4885
US-20090069358-A1 Use of IKappaB-Kinase Inhibitors in Pain Therapy NFKBIA, IKBKB, IKBKE L3MBTL1 2334/4885SMN1; SMN2 2986/4885KMT2A 2729/4885
US-20050197353-A1 Indole derivatives or benzimidazole derivatives for modulating IkB kinase IKBKB, IKBKG, IKBKE L3MBTL1 1780/4885SMN1; SMN2 3861/4885KMT2A 1433/4885

“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.