Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4357873

Cn1ccc(C(=O)N2CC[C@H](NC(=O)Nc3ccc4cc3CCc3cncc(c3)Nc3ncc(Cl)c(n3)N4)C2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.39
KDM5A P29375 4/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
KDM5B Q9UGL1 2/20 0.32
SCN9A Q15858 1/20 0.30
EPHX2 P34913 1/20 0.30
CDK14 O94921 2/20 0.30
CCNY Q8ND76 2/20 0.30

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
SCHEMBL1076865 0.96 ALK (0.42) ALKKDM5AJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4361739 0.94 ALK (0.46) ALKKDM5AJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4363614 0.90 ALK (0.42) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4358405 0.90 ALK (0.39) ALKKDM5AJAK2JAK1TYK2
SCHEMBL4366608 0.90 ALK (0.50) ALKKDM5AJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4363806 0.89 ALK (0.37) ALKKDM5AJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4358015 0.89 ALK (0.40) ALKKDM5AJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4357014 0.89 ALK (0.38) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4354767 0.89 ALK (0.38) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4362935 0.88 ALK (0.36) ALKKDM5AJAK2JAK1TYK2

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 3/4885KDM5A 300/4885JAK2 1/4885

“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.