SCHEMBL436993

SCHEMBL436993

CCCCNC(=O)c1ccc2c(c1)C(=C(Nc1ccc(CN(C)C)cc1)c1ccccc1)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.42
SIGMAR1 Q99720 6/20 0.42
ROCK2 O75116 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 2/20 0.40
PAK4 O96013 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C19 P33261 1/20 0.39
THRB P10828 1/20 0.39
NAMPT P43490 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL436992 1.00 TMEM97 (0.42) TMEM97SIGMAR1ROCK2SMN1; SMN2CYP3A4
SCHEMBL8177012 0.97 NAAA (0.42) TMEM97SIGMAR1ROCK2SMN1; SMN2CYP3A4
SCHEMBL8177015 0.97 NAAA (0.42) TMEM97SIGMAR1ROCK2SMN1; SMN2CYP3A4
SCHEMBL8192360 0.97 NAAA (0.43) TMEM97SIGMAR1ROCK2CYP3A4PAK4
SCHEMBL1116349 0.97 NAAA (0.43) TMEM97SIGMAR1ROCK2CYP3A4PAK4
SCHEMBL8192365 0.97 NAAA (0.43) TMEM97SIGMAR1ROCK2CYP3A4PAK4
SCHEMBL1116363 0.97 NAAA (0.43) TMEM97SIGMAR1ROCK2CYP3A4PAK4
SCHEMBL6985636 0.95 ROCK2 (0.42) TMEM97SIGMAR1ROCK2CYP3A4PAK4
SCHEMBL6985634 0.95 ROCK2 (0.42) TMEM97SIGMAR1ROCK2CYP3A4PAK4
SCHEMBL8176218 0.92 TDP1 (0.41) TMEM97SIGMAR1SMN1; SMN2PAK4GAA

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 34 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
WO-2000073297-A1 SUBSTITUTED INDOLINONE AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-07 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
US-20040204458-A1 Use of Lck inhibitors for treatment of immunologic diseases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-14 US disclosed
WO-2000073297-A1 SUBSTITUTED INDOLINONE AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-07 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-20080254040-A1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION, MIGRATION OR APOPTOSIS OF MYELOMA CELLS OR ANGIOGENESIS BAX, BCL2, CXCL12 TMEM97 3854/4885SIGMAR1 4726/4885ROCK2 410/4885
US-20150265610-A1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION, MIGRATION OR APOPTOSIS OF MYELOMA CELLS, OR ANGIOGENESIS BAX, BCL2, VEGFA TMEM97 3716/4885SIGMAR1 4685/4885ROCK2 435/4885
US-20050043233-A1 Combinations for the treatment of diseases involving cell proliferation, migration or apoptosis of myeloma cells or angiogenesis BAX, BCL2, CXCL12 TMEM97 3854/4885SIGMAR1 4726/4885ROCK2 410/4885

“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.