Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2719490

Cc1cnc(C(=O)Nc2ccc(C)c(-c3nc(NC(CO)CO)nc4c3ccc(=O)n4-c3c(F)cccc3F)c2)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.41
BRAF P15056 1/20 0.41
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
SLC2A1 P11166 1/20 0.37
ALDH1A1 P00352 2/20 0.35
SYK P43405 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
PARP1 P09874 1/20 0.34
BACE1 P56817 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
SCHEMBL3530599 0.96 SMN1; SMN2 (0.41) RAF1BRAFNPC1SMN1; SMN2RAB9A
SCHEMBL2719495 0.92 RAF1 (0.38) RAF1BRAFNPC1SMN1; SMN2RAB9A
Trifluoroacetic Acid SCHEMBL2719042 0.92 RAF1 (0.39) RAF1BRAFSLC2A1SYK
Trifluoroacetic Acid SCHEMBL2721872 0.90 RAF1 (0.40) RAF1BRAFSLC2A1SYK
Trifluoroacetic Acid SCHEMBL2718450 0.89 RAF1 (0.40) RAF1BRAFSLC2A1SYK
Trifluoroacetic Acid SCHEMBL2717787 0.89 RAF1 (0.42) RAF1BRAFSMN1; SMN2RAB9ASLC2A1
Trifluoroacetic Acid SCHEMBL2719359 0.88 RAF1 (0.46) RAF1BRAFSLC2A1SYK
Trifluoroacetic Acid SCHEMBL2720769 0.88 RAF1 (0.46) RAF1BRAFNPC1RAB9ASLC2A1
SCHEMBL3533709 0.87 RAF1 (0.39) RAF1BRAFSYKLMNABACE1
Trifluoroacetic Acid SCHEMBL2718569 0.87 RAF1 (0.43) RAF1BRAFSLC2A1SYK

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 7 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-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 (3 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-20090156597-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 RAF1 163/4885BRAF 84/4885NPC1 1885/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 RAF1 206/4885BRAF 100/4885NPC1 2139/4885
US-20090069318-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 RAF1 163/4885BRAF 84/4885NPC1 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.