SCHEMBL2116049

SCHEMBL2116049

CCOC(=O)c1cccc2cc(O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.58
CA12 O43570 5/20 0.58
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA7 P43166 5/20 0.58
CA9 Q16790 5/20 0.58
CA14 Q9ULX7 5/20 0.58
TSHR P16473 1/20 0.54
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
ALDH1A1 P00352 2/20 0.51
CDC25A P30304 1/20 0.51
CDC25C P30307 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MIF P14174 1/20 0.50
PFKFB3 Q16875 1/20 0.50
CLEC4M Q9H2X3 1/20 0.48
HSD17B10 Q99714 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL2113523 0.89 CDC25B (0.53) CDC25BCA12CA1CA2CA7
SCHEMBL8912608 0.86 CDC25B (0.60) CDC25BCA12CA1CA2CA7
SCHEMBL69303 0.85 TSHR (0.63) CDC25BCA12CA1CA2CA7
SCHEMBL8056360 0.85 CDC25B (0.58) CDC25BCA12CA1CA2CA7
SCHEMBL10440866 0.84 TSHR (0.61) TSHRALDH1A1KDM4EHSD17B10ESR1
SCHEMBL6297205 0.84 CDC25B (0.57) CDC25BTSHRMAOAMAOBALDH1A1
SCHEMBL11059126 0.83 CDC25B (0.60) CDC25BCA12CA1CA2CA7
SCHEMBL30571222 0.83 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL273978 0.83 CA12 (0.54) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL6987956 0.82 CDC25B (0.56) CDC25BTSHRMAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111454206-A Process for producing antitumor agent and crystals thereof 爱德程制药有限公司 2020-07-28 CN disclosed
US-9783498-B2 Process for preparing the anti-tumor agent 6-(7-((1-aminocyclopropyl)methoxy)-6-methoxyquinolin-4-yloxy)-N-methyl-1-naphthamide and its crystalline Advenchen Pharmaceuticals, LLC (US) 2017-10-10 US disclosed
US-20150353496-A1 Process for preparing the anti-tumor agent 6-(7-((1-aminocyclopropyl)methoxy)-6-methoxyquinolin-4-yloxy)-N-methyl-1-naphthamide and its crystalline ADVENCHEN PHARMACEUTICALS LLC (US) 2015-12-10 US disclosed
EP-2945931-A1 PROCESS FOR PREPARING THE ANTI-TUMOR AGENT 6-(7-((1-AMINOCYCLOPROPYL) METHOXY)-6-METHOXYQUINOLIN-4-YLOXY)-N-METHYL-1-NAPHTHAMIDE AND ITS CRYSTALLINE Advenchen Pharmaceuticals LLC (US) 2015-11-25 EP disclosed
CN-104936946-A Process for preparing antitumor agent 6- (7- ((1-aminocyclopropyl) methoxy) -6-methoxyquinolin-4-yloxy) -N-methyl-1-naphthamide and crystal thereof ADVENCHEN PHARMACEUTICALS LLC 2015-09-23 CN disclosed
WO-2014113616-A1 PROCESS FOR PREPARING THE ANTI-TUMOR AGENT 6-(7-((1-AMINOCYCLOPROPYL) METHOXY)-6-METHOXYQUINOLIN-4-YLOXY)-N-METHYL-1-NAPHTHAMIDE AND ITS CRYSTALLINE Advenchen Pharmaceuticals, LLC (US) 2014-07-24 WO disclosed
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
EP-1962838-B1 FARNESOID X RECEPTOR AGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-28 EP disclosed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US disclosed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US disclosed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US disclosed
EP-1962838-A2 FARNESOID X RECEPTOR AGONISTS Smithkline Beecham Corporation (US) 2008-09-03 EP disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
WO-2007076260-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
WO-2007076260-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
CN-1309638-A N-substituted naphthamides as neurokinin receptor antagonists ASTRAZENECA AB (SE) 2001-08-22 CN 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 (2 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-20080167356-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 CDC25B 4428/4885CA12 4667/4885CA1 4634/4885
US-20150353496-A1 Process for preparing the anti-tumor agent 6-(7-((1-aminocyclopropyl)methoxy)-6-methoxyquinolin-4-yloxy)-N-methyl-1-naphthamide and its crystalline CCNA1, CDK10, CCNT1 CDC25B 63/4885CA12 692/4885CA1 953/4885

“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.