SCHEMBL436226

SCHEMBL436226

CCC(=O)N(CCCN(C)C)c1ccc(NC(=C2C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
TDO2 P48775 1/20 0.40
ALDH1A1 P00352 2/20 0.35
ADRB2 P07550 1/20 0.35
KDR P35968 1/20 0.35
LTA4H P09960 2/20 0.34
LCK P06239 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
MST1R Q04912 1/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SRC P12931 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PDPK1 O15530 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL436225 1.00 IDO1 (0.40) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL6328087 0.94 IDO1 (0.41) IDO1TDO2ALDH1A1KDRGAA
SCHEMBL6328091 0.94 IDO1 (0.41) IDO1TDO2ALDH1A1KDRGAA
SCHEMBL6320093 0.91 ADRA2C (0.40) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL6320087 0.91 ADRA2C (0.40) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL6319638 0.91 MEN1 (0.38) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL6319632 0.91 MEN1 (0.38) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL6321023 0.90 IDO1 (0.39) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL6319358 0.90 IDO1 (0.39) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL6322707 0.88 IDO1 (0.42) IDO1TDO2ALDH1A1KDRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2826480-A1 Combinations for the treatment of diseases involving cell proliferation, migration or apoptosis of myeloma cells, or angiogenesis Boehringer Ingelheim International GmbH (DE) 2015-01-21 EP claimed
EP-2409705-A1 Combinations for the treatment of diseases involving cell proliferation, migration or apoptosis of myeloma cells or angiogenesis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-25 EP claimed
EP-2361626-A1 Combinations for the treatment of diseases involving cell proliferation, migration or apoptosis of myeloma cells, or angiogenesis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-31 EP claimed
EP-2359829-A1 Combinations for the treatment of diseases involving cell proliferation, migration or apoptosis of myeloma cells, or angiogenesis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-24 EP claimed
JP-4701159-B2 2011-06-15 JP claimed
EP-2281561-A2 Use of LCK inhibitors for treatment of immunologic diseases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-02-09 EP claimed
US-20090306104-A1 Use of Lck inhibitors for treatment of immunologic diseases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-12-10 US claimed
US-20090087405-A1 Use of Lck inhibitors for treatment of immunologic diseases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-02 US claimed
US-20080254040-A1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION, MIGRATION OR APOPTOSIS OF MYELOMA CELLS OR ANGIOGENESIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 US claimed
JP-2006524634-A 2006-11-02 JP claimed
EP-1622619-A2 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION, MIGRATION OR APOPTOSIS OF MYELOMA CELLS, OR ANGIOGENESIS Boehringer Ingelheim International GmbH (DE) 2006-02-08 EP claimed
EP-1530466-A2 USE OF LCK INHIBITOR FOR TREATMENT OF IMMUNOLOGIC DISEASES Boehringer Ingelheim Pharma KG (DE) 2005-05-18 EP claimed
US-20050043233-A1 Combinations for the treatment of diseases involving cell proliferation, migration or apoptosis of myeloma cells or angiogenesis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-24 US claimed
WO-2004096224-A2 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION, MIGRATION OR APOPTOSIS OF MYELOMA CELLS, OR ANGIOGENESIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-11-11 WO claimed
US-20040204458-A1 Use of Lck inhibitors for treatment of immunologic diseases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-14 US claimed
WO-2004017948-A2 USE OF LCK INHIBITOR FOR TREATMENT OF IMMUNOLOGIC DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO claimed
US-20150265610-A1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION, MIGRATION OR APOPTOSIS OF MYELOMA CELLS, OR ANGIOGENESIS BOEHRINGER INGELHEIM INT (DE) 2015-09-24 US disclosed
EP-2826480-A1 Combinations for the treatment of diseases involving cell proliferation, migration or apoptosis of myeloma cells, or angiogenesis Boehringer Ingelheim International GmbH (DE) 2015-01-21 EP disclosed
WO-2004017948-A2 USE OF LCK INHIBITOR FOR TREATMENT OF IMMUNOLOGIC DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP 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-20080254040-A1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION, MIGRATION OR APOPTOSIS OF MYELOMA CELLS OR ANGIOGENESIS BAX, BCL2, CXCL12 IDO1 3148/4885TDO2 4729/4885ALDH1A1 2154/4885
US-20150265610-A1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION, MIGRATION OR APOPTOSIS OF MYELOMA CELLS, OR ANGIOGENESIS BAX, BCL2, VEGFA IDO1 3030/4885TDO2 4733/4885ALDH1A1 2021/4885
US-20050043233-A1 Combinations for the treatment of diseases involving cell proliferation, migration or apoptosis of myeloma cells or angiogenesis BAX, BCL2, CXCL12 IDO1 3148/4885TDO2 4729/4885ALDH1A1 2154/4885

“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.