SCHEMBL2719933

SCHEMBL2719933

Cc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1-c1nc(NC(CO)COC(=O)C(F)(F)F)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.39
RAF1 P04049 5/20 0.39
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
NFATC1 O95644 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
IMPDH2 P12268 1/20 0.33
DDR2 Q16832 5/20 0.33
FGFR1 P11362 4/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 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
Trifluoroacetic Acid SCHEMBL2719929 0.92 BRAF (0.42) BRAFRAF1ABL1BCRNFATC1
SCHEMBL3532989 0.92 BRAF (0.42) BRAFRAF1NFATC1NPC1RAB9A
SCHEMBL2720774 0.92 RAF1 (0.42) BRAFRAF1NPC1RAB9ADDR2
SCHEMBL2719360 0.92 RAF1 (0.42) BRAFRAF1
SCHEMBL2719897 0.89 RAF1 (0.36) BRAFRAF1RAB9A
SCHEMBL2718524 0.89 RAF1 (0.39) BRAFRAF1ABL1DDR2FGFR1
SCHEMBL2720027 0.89 RAF1 (0.42) BRAFRAF1
SCHEMBL2718452 0.88 RAF1 (0.38) BRAFRAF1
SCHEMBL2717790 0.87 RAF1 (0.39) BRAFRAF1RAB9A
SCHEMBL2719935 0.85 RAF1 (0.41) BRAFRAF1DDR2FGFR1

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 BRAF 100/4885RAF1 206/4885ABL1 804/4885
US-20090156597-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 BRAF 84/4885RAF1 163/4885ABL1 666/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 BRAF 100/4885RAF1 206/4885ABL1 804/4885
US-20090069318-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 BRAF 84/4885RAF1 163/4885ABL1 666/4885

“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.