SCHEMBL2720044

SCHEMBL2720044

Cc1ccc(C(=O)NCCc2ccccc2)cc1-c1nc(NC(CO)COC(=O)C(F)(F)F)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.36
MAPT P10636 6/20 0.36
RXFP1 Q9HBX9 2/20 0.35
RAB9A P51151 3/20 0.34
POLB P06746 1/20 0.34
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
MLYCD O95822 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PARP1 P09874 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
SCHEMBL2721033 0.96 MLYCD (0.34) TP53MAPTRXFP1RAB9APOLB
SCHEMBL2730303 0.94 MAPT (0.35) TP53MAPTRXFP1POLBRAF1
SCHEMBL2720499 0.92 RAF1 (0.35) RAB9APOLBRAF1BRAFMEN1
Trifluoroacetic Acid SCHEMBL2720040 0.92 TP53 (0.38) TP53MAPTRXFP1RAB9APOLB
SCHEMBL2718658 0.92 TP53 (0.40) TP53MAPTRXFP1RAB9APOLB
SCHEMBL2720883 0.90 RAF1 (0.33) TP53RXFP1RAF1BRAFKDM4E
SCHEMBL2721215 0.89 RAF1 (0.34) RAF1BRAF
Trifluoroacetic Acid SCHEMBL2721031 0.89 MLYCD (0.37) TP53MAPTRXFP1RAB9APOLB
SCHEMBL2722034 0.89 ALDH1A1 (0.37) TP53POLBKDM4EMEN1USP2
SCHEMBL2722018 0.88 MAPK14 (0.38) RAF1BRAF

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 8 patents. 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-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-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-20090069318-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-03-12 US disclosed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US 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 TP53 972/4885MAPT 2315/4885RXFP1 2585/4885
US-20090156597-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 TP53 845/4885MAPT 2161/4885RXFP1 2579/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 TP53 972/4885MAPT 2315/4885RXFP1 2585/4885
US-20090069318-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 TP53 845/4885MAPT 2161/4885RXFP1 2579/4885

“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.