Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4356133

N#Cc1ccccc1N1CCN(C(=O)COc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.47
THRB P10828 1/20 0.40
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 1/20 0.39
TP53 P04637 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
ENPP2 Q13822 1/20 0.35
MAPT P10636 1/20 0.34
MC4R P32245 1/20 0.34

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
SCHEMBL1075305 0.95 ALK (0.51) ALKTHRBHTR1AHTR1DHTR1B
Trifluoroacetic Acid SCHEMBL1075347 0.92 ALK (0.45) ALKTP53JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4358444 0.90 ALK (0.49) ALKTHRBTP53MEN1TSHR
Trifluoroacetic Acid SCHEMBL1076382 0.90 ALK (0.50) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4352319 0.90 ALK (0.48) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL1075216 0.90 ALK (0.44) ALKTP53JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL1075165 0.89 ALK (0.45) ALKTP53JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4356524 0.88 ALK (0.49) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633256 0.88 THRB (0.44) ALKTHRBHTR1AHTR1DHTR1B
Trifluoroacetic Acid SCHEMBL4357665 0.88 ALK (0.44) ALKJAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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 (1 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALK 3/4885THRB 2303/4885HTR1A 4624/4885

“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.