SCHEMBL1168077

SCHEMBL1168077

CCc1cc(-c2nocc2-c2ccncc2)cc(CC)c1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 3/20 0.52
MAPK14 Q16539 3/20 0.52
MAPK13 O15264 2/20 0.52
MAPK12 P53778 2/20 0.52
PTGS2 P35354 4/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
HSP90AA1 P07900 1/20 0.35
LRRK2 Q5S007 1/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
KDM4E B2RXH2 1/20 0.32
CSNK1D P48730 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL1168997 0.97 MAPK14 (0.54) MAPK11MAPK14MAPK13MAPK12PTGS2
SCHEMBL1168115 0.84 PTGS2 (0.41) MAPK11MAPK14MAPK13MAPK12PTGS2
SCHEMBL1168166 0.83 PTGS2 (0.41) MAPK11MAPK14MAPK13MAPK12PTGS2
SCHEMBL1168674 0.83 PTPN1 (0.46) MAPK11MAPK14MAPK13MAPK12PTGS2
Dimethylamine SCHEMBL1167887 0.83 PTGS2 (0.49) MAPK11MAPK14MAPK13MAPK12PTGS2
SCHEMBL1167755 0.82 MAPK14 (0.39) MAPK11MAPK14MAPK13MAPK12CCNC
SCHEMBL1167886 0.82 PTGS2 (0.39) MAPK11MAPK14MAPK13MAPK12PTGS2
SCHEMBL12342103 0.82 PTGS2 (0.39) MAPK11MAPK14MAPK13MAPK12PTGS2
SCHEMBL1168381 0.81 PTGS2 (0.41) MAPK11MAPK14MAPK13MAPK12PTGS2
SCHEMBL27765825 0.77 MAPK14 (0.59) MAPK11MAPK14MAPK13MAPK12PTGS2

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 MAPK11 453/4885MAPK14 1235/4885MAPK13 769/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK MAPK11 2304/4885MAPK14 2580/4885MAPK13 2479/4885
US-20060217389-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 MAPK11 453/4885MAPK14 1235/4885MAPK13 769/4885
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 MAPK11 453/4885MAPK14 1235/4885MAPK13 769/4885
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 MAPK11 453/4885MAPK14 1235/4885MAPK13 769/4885

“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.