SCHEMBL2718489

SCHEMBL2718489

Cc1ccc(N)cc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.40
MAPK13 O15264 5/20 0.40
MAPK12 P53778 5/20 0.40
MAPK11 Q15759 5/20 0.40
KCNH2 Q12809 1/20 0.40
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
CSNK1E P49674 1/20 0.32
SIK2 Q9H0K1 1/20 0.32
STK26 Q9P289 1/20 0.32
STK24 Q9Y6E0 1/20 0.32
ABL1 P00519 1/20 0.31
SCN9A Q15858 1/20 0.31
IDH2 P48735 1/20 0.30

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
SCHEMBL2718133 0.88 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3530695 0.88 RAF1 (0.46) RAF1BRAF
SCHEMBL2720028 0.86 MAPK13 (0.33) MAPK14MAPK13MAPK12MAPK11KCNH2
Dilmapimod SCHEMBL1065268 0.86 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3535843 0.85 RAF1 (0.36) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1066098 0.84 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2
Trifluoroacetic Acid SCHEMBL2720026 0.84 RAF1 (0.46) MAPK14RAF1BRAF
SCHEMBL3536611 0.84 RAF1 (0.37) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3526785 0.83 RAF1 (0.46) MAPK14RAF1BRAF
SCHEMBL3531127 0.83 RAF1 (0.46) MAPK14MAPK13MAPK12MAPK11RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354416-B2 3-[2-{[3-(diethylamino)propyl]amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-N-(1-methylethyl)benzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 US disclosed
US-8354416-B2 3-[2-{[3-(diethylamino)propyl]amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-N-(1-methylethyl)benzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 US disclosed
US-8354416-B2 3-[2-{[3-(diethylamino)propyl]amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-N-(1-methylethyl)benzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 US disclosed
US-8207176-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8207176-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8207176-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
EP-2447266-A1 Pyrimidopyridine compound used as a CSBP/RK/p38 modulator GLAXO GROUP LIMITED (GB) 2012-05-02 EP disclosed
EP-2447266-A1 Pyrimidopyridine compound used as a CSBP/RK/p38 modulator GLAXO GROUP LIMITED (GB) 2012-05-02 EP disclosed
US-20100144755-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144755-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
EP-1868611-A4 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2009-05-27 EP disclosed
US-20090069318-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-03-12 US disclosed
US-20090069318-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-03-12 US disclosed
US-20090069318-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-03-12 US disclosed
WO-2006104915-A9 8-PHENYL-7,8-DIHYDROPYRIDO[2,3-d]PYRIMIDIN-7-ONES AND THEIR USE AS PHARMACEUTICALS GLAXO GROUP LTD (GB) 2008-01-03 WO disclosed
WO-2006104915-A9 8-PHENYL-7,8-DIHYDROPYRIDO[2,3-d]PYRIMIDIN-7-ONES AND THEIR USE AS PHARMACEUTICALS GLAXO GROUP LTD (GB) 2008-01-03 WO disclosed
EP-1868611-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2007147103-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
WO-2006104915-A2 8-PHENYL-7,8-DIHYDROPYRIDO[2,3-d]PYRIMIDIN-7-ONES AND THEIR USE AS PHARMACEUTICALS GLAXO GROUP LIMITED (GB) 2006-10-05 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-20100144755-A1 Novel Compounds MAPKAPK2, CDC42BPB, MAPK8 MAPK14 35/4885MAPK13 44/4885MAPK12 83/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 MAPK14 35/4885MAPK13 44/4885MAPK12 83/4885
US-20090069318-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 MAPK14 43/4885MAPK13 44/4885MAPK12 70/4885

“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.