Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2719929

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.42
RAF1 P04049 5/20 0.42
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NFATC1 O95644 1/20 0.35
SYK P43405 1/20 0.35
MAPT P10636 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
FGFR1 P11362 3/20 0.34
DDR2 Q16832 3/20 0.34
TAS2R8 Q9NYW2 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33

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
SCHEMBL3532989 0.96 BRAF (0.42) BRAFRAF1NPC1RAB9ANFATC1
SCHEMBL2719933 0.92 BRAF (0.39) BRAFRAF1NPC1RAB9ANFATC1
Trifluoroacetic Acid SCHEMBL2720769 0.91 RAF1 (0.46) BRAFRAF1NPC1RAB9ASYK
Trifluoroacetic Acid SCHEMBL2719359 0.91 RAF1 (0.46) BRAFRAF1SYK
Trifluoroacetic Acid SCHEMBL2719894 0.89 RAF1 (0.39) BRAFRAF1RAB9ASYKMAPT
Trifluoroacetic Acid SCHEMBL2718521 0.88 RAF1 (0.43) BRAFRAF1SYKMAPTFGFR1
Trifluoroacetic Acid SCHEMBL2720026 0.88 RAF1 (0.46) BRAFRAF1SYK
Trifluoroacetic Acid SCHEMBL2718569 0.87 RAF1 (0.43) BRAFRAF1SYK
SCHEMBL3531127 0.87 RAF1 (0.46) BRAFRAF1NPC1RAB9ASYK
SCHEMBL3526785 0.87 RAF1 (0.46) BRAFRAF1NPC1RAB9ASYK

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 206/4885NPC1 2139/4885
US-20090156597-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 BRAF 84/4885RAF1 163/4885NPC1 1885/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 BRAF 100/4885RAF1 206/4885NPC1 2139/4885
US-20090069318-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 BRAF 84/4885RAF1 163/4885NPC1 1885/4885

“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.