Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4528110

CCCN(CCC)c1nc(N)nc2cc(-c3ccccc3C)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
KDR P35968 1/20 0.42
JAK3 P52333 1/20 0.42
MAPK14 Q16539 1/20 0.42
MAPT P10636 1/20 0.41
DHFR P00374 5/20 0.40
CRHR1 P34998 2/20 0.40
EGLN1 Q9GZT9 3/20 0.39
BACE1 P56817 4/20 0.39
CTSD P07339 2/20 0.38
ADORA2A P29274 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36

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 SCHEMBL4533532 0.92 DHFR (0.41) LCKKDRJAK3MAPK14DHFR
Trifluoroacetic Acid SCHEMBL4517911 0.90 CRHR1 (0.43) MAPTDHFRCRHR1EGLN1NOS1
SCHEMBL4521420 0.90 LCK (0.50) LCKKDRJAK3MAPK14MAPT
Trifluoroacetic Acid SCHEMBL4523782 0.87 CYP2D6 (0.44) LCKKDRJAK3MAPK14DHFR
Trifluoroacetic Acid SCHEMBL4519819 0.82 HRH4 (0.43) DHFRCRHR1EGLN1
SCHEMBL4517691 0.81 DHFR (0.49) LCKKDRJAK3MAPK14DHFR
Trifluoroacetic Acid SCHEMBL4517024 0.81 APP (0.54) LCKKDRJAK3MAPK14DHFR
Trifluoroacetic Acid SCHEMBL4530564 0.80 NLRP3 (0.49) LCKKDRJAK3MAPK14DHFR
SCHEMBL4531645 0.79 HRH4 (0.50) MAPTDHFRCRHR1EGLN1NOS3
Trifluoroacetic Acid SCHEMBL4527702 0.76 CYP2D6 (0.51) DHFREGLN1BACE1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO 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 (2 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 LCK 80/4885KDR 2310/4885JAK3 199/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 LCK 80/4885KDR 2310/4885JAK3 199/4885

“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.