SCHEMBL3536550

SCHEMBL3536550

Cc1ccc(NC(=O)c2c(O)ccc3ccccc23)cc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.39
BRAF P15056 2/20 0.39
ALOX15 P16050 1/20 0.37
IL2 P60568 7/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
PIK3CD O00329 1/20 0.31
GAA P10253 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
SYK P43405 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL3497853 0.96 RAF1 (0.39) RAF1BRAFALOX15IL2LMNA
SCHEMBL3497855 0.89 RAF1 (0.38) RAF1BRAFIL2LMNAPOLB
SCHEMBL3533261 0.88 RAF1 (0.43) RAF1BRAFIL2MAPK13MAPK12
SCHEMBL3535078 0.87 RAF1 (0.40) RAF1BRAFIL2LMNAPOLB
SCHEMBL3531127 0.86 RAF1 (0.46) RAF1BRAFMAPK13MAPK12MAPK11
SCHEMBL3526785 0.86 RAF1 (0.46) RAF1BRAFLMNAPOLBMAPK14
SCHEMBL14310330 0.86 RAF1 (0.38) RAF1BRAFIL2LMNAPOLB
SCHEMBL3533709 0.86 RAF1 (0.39) RAF1BRAFLMNAMAPK13MAPK12
SCHEMBL3530695 0.84 RAF1 (0.46) RAF1BRAFSYK
SCHEMBL3535147 0.84 KMT2A (0.41) RAF1BRAFLMNAPOLBMAPK14

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678801-B2 3-(8-(2,6-Difluorophenyl)-2-{[2-(methylamino)ethyl]amino}-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl)-4-methyl-N-1,3-thiazol-2-ylbenzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2010-03-16 US claimed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US claimed
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-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-7678801-B2 3-(8-(2,6-Difluorophenyl)-2-{[2-(methylamino)ethyl]amino}-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl)-4-methyl-N-1,3-thiazol-2-ylbenzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2010-03-16 US disclosed
US-7678801-B2 3-(8-(2,6-Difluorophenyl)-2-{[2-(methylamino)ethyl]amino}-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl)-4-methyl-N-1,3-thiazol-2-ylbenzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2010-03-16 US disclosed
US-20090156597-A1 Novel Compounds GLAXO GROUP LIMITED 2009-06-18 US disclosed
US-20090156597-A1 Novel Compounds GLAXO GROUP LIMITED 2009-06-18 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-2007147103-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 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 RAF1 206/4885BRAF 100/4885ALOX15 4866/4885
US-20090156597-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 RAF1 163/4885BRAF 84/4885ALOX15 4869/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 RAF1 206/4885BRAF 100/4885ALOX15 4866/4885
US-20090069318-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 RAF1 163/4885BRAF 84/4885ALOX15 4869/4885

“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.