SCHEMBL1168166

SCHEMBL1168166

CCc1cc(-c2nocc2-c2ccc(-c3cccnc3)cc2)cc(CC)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
MKNK1 Q9BUB5 3/20 0.40
MKNK2 Q9HBH9 3/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP3A4 P08684 4/20 0.39
CYP19A1 P11511 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
CYP2A6 P11509 3/20 0.37
KIF11 P52732 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP2E1 P05181 1/20 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
SCHEMBL1168997 0.86 MAPK14 (0.54) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1168077 0.83 MAPK11 (0.52) PTGS2MAPK13MAPK12MAPK11MAPK14
Dimethylamine SCHEMBL1167887 0.81 PTGS2 (0.49) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1167755 0.80 MAPK14 (0.39) MAPK13MAPK12MAPK11MAPK14CYP11B1
SCHEMBL1168115 0.80 PTGS2 (0.41) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1168674 0.79 PTPN1 (0.46) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1168143 0.79 MAPK1 (0.54) MKNK1MKNK2ALDH1A1POLB
SCHEMBL1168381 0.79 PTGS2 (0.41) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL617915 0.79 MKNK1 (0.40) MKNK1MKNK2CYP3A4CYP19A1CYP2C9
SCHEMBL12342103 0.78 PTGS2 (0.39) PTGS2MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090603-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2015-07-28 US disclosed
US-9090603-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2015-07-28 US disclosed
US-9090603-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2015-07-28 US disclosed
US-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2014-02-13 US disclosed
US-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2014-02-13 US disclosed
US-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2014-02-13 US disclosed
US-8598366-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2013-12-03 US disclosed
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-15 US disclosed
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-15 US disclosed
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-15 US disclosed
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2011-03-10 US disclosed
US-7884094-B2 antiproliferative agents such as 2-amino-N-(2-methoxy-5-[3- (3,4,5-trimethoxy-phenyl)- isoxazol-4-yl)-phenyl)-3- phenylpropanamide, that inhibit tubulin polymerization and/or target vasculature, usefeul for the treatment of cancer SYNTA PHARMACEUTICALS CORP. (US) 2011-02-08 US disclosed
US-7884094-B2 antiproliferative agents such as 2-amino-N-(2-methoxy-5-[3- (3,4,5-trimethoxy-phenyl)- isoxazol-4-yl)-phenyl)-3- phenylpropanamide, that inhibit tubulin polymerization and/or target vasculature, usefeul for the treatment of cancer SYNTA PHARMACEUTICALS CORP. (US) 2011-02-08 US disclosed
US-7884094-B2 antiproliferative agents such as 2-amino-N-(2-methoxy-5-[3- (3,4,5-trimethoxy-phenyl)- isoxazol-4-yl)-phenyl)-3- phenylpropanamide, that inhibit tubulin polymerization and/or target vasculature, usefeul for the treatment of cancer SYNTA PHARMACEUTICALS CORP. (US) 2011-02-08 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 US disclosed
EP-2059250-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS Synta Pharmaceuticals Corporation (US) 2009-05-20 EP disclosed
EP-1919882-A2 ISOXAZOLE COMBRETASTATIN DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Synta Pharmaceuticals Corporation (US) 2008-05-14 EP disclosed
WO-2008033449-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS SYNTA PHARMACEUTICALS CORP. (US) 2008-03-20 WO disclosed
US-20060217389-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2006-09-28 US disclosed
WO-2006089177-A2 ISOXAZOLE COMBRETASTIN DERIVATIVES FOR THE TREATMENT OF DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2006-08-24 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 (5 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-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885MKNK1 1248/4885MKNK2 1460/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK PTGS2 50/4885MKNK1 721/4885MKNK2 603/4885
US-20060217389-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 PTGS2 3488/4885MKNK1 1248/4885MKNK2 1460/4885
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885MKNK1 1248/4885MKNK2 1460/4885
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885MKNK1 1248/4885MKNK2 1460/4885

“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.