SCHEMBL2720144

SCHEMBL2720144

CSc1nc(-c2cc(C(=O)NCC3CC3)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.44
CYP2C9 P11712 2/20 0.41
MAPK11 Q15759 2/20 0.41
HSPB1 P04792 1/20 0.41
EPHA3 P29320 1/20 0.39
FRK P42685 1/20 0.39
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
PDGFRA P16234 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPK12 P53778 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL2720800 0.88 MAPK14 (0.37) MAPK14MAPK11MAPK13RAF1PDGFRA
SCHEMBL2719618 0.88 MAPK14 (0.50) MAPK14MAPK11MAPK13RAF1PDGFRA
SCHEMBL2719290 0.87 MAPK14 (0.44) MAPK14CYP2C9MAPK11HSPB1EPHA3
SCHEMBL2721566 0.87 LMNA (0.41) MAPK14
SCHEMBL2722533 0.86 MAPK14 (0.47) MAPK14CYP2C9MAPK11HSPB1EPHA3
SCHEMBL2721754 0.85 TP53 (0.42)
SCHEMBL10226946 0.85 MAPK14 (0.42) MAPK14CYP2C9MAPK11HSPB1EPHA3
SCHEMBL2719973 0.85 MAPK14 (0.44) MAPK14CYP2C9MAPK11HSPB1EPHA3
SCHEMBL2721627 0.84 MAPK14 (0.41) MAPK14CYP2C9MAPK11HSPB1EPHA3
SCHEMBL2722107 0.84 MAPK14 (0.41) MAPK14CYP2C9MAPK11HSPB1EPHA3

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 25 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
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
US-20100144755-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20090156597-A1 Novel Compounds GLAXO GROUP LIMITED 2009-06-18 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
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 (4 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 35/4885CYP2C9 4861/4885MAPK11 85/4885
US-20090156597-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 MAPK14 43/4885CYP2C9 4842/4885MAPK11 73/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 MAPK14 35/4885CYP2C9 4861/4885MAPK11 85/4885
US-20090069318-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 MAPK14 43/4885CYP2C9 4842/4885MAPK11 73/4885

“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.