SCHEMBL2720883

SCHEMBL2720883

CCCCCCCNC(=O)c1ccc(C)c(-c2nc(NC(CO)COC(=O)C(F)(F)F)nc3c2ccc(=O)n3-c2c(F)cccc2F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
TP53 P04637 1/20 0.33
MLYCD O95822 1/20 0.33
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GLA P06280 1/20 0.31
F2 P00734 1/20 0.30
F3 P13726 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NCEH1 Q6PIU2 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30
MAPK14 Q16539 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL2720499 0.95 RAF1 (0.35) RAF1BRAFALDH1A1MAPK14MEN1
Trifluoroacetic Acid SCHEMBL2720879 0.92 RAF1 (0.36) RAF1BRAFTP53MLYCDHPGD
SCHEMBL3529363 0.92 TP53 (0.37) RAF1BRAFTP53HPGDMAPK1
SCHEMBL2721033 0.92 MLYCD (0.34) RAF1BRAFTP53MLYCDHPGD
SCHEMBL2720044 0.90 TP53 (0.36) RAF1BRAFTP53MLYCDNPSR1
SCHEMBL2721215 0.89 RAF1 (0.34) RAF1BRAFMAPK14
SCHEMBL2730303 0.89 MAPT (0.35) RAF1BRAFTP53HPGDMAPK1
SCHEMBL2722018 0.88 MAPK14 (0.38) RAF1BRAFMAPK14
SCHEMBL2721115 0.88 MAPK14 (0.42) RAF1MAPK14
SCHEMBL2719794 0.87 MAPK14 (0.39) RAF1MAPK14

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 RAF1 206/4885BRAF 100/4885TP53 972/4885
US-20090156597-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 RAF1 163/4885BRAF 84/4885TP53 845/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 RAF1 206/4885BRAF 100/4885TP53 972/4885
US-20090069318-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 RAF1 163/4885BRAF 84/4885TP53 845/4885

“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.