Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4358405

Cn1cc(C(=O)N2CC[C@H](NC(=O)Nc3ccc4cc3CCc3cncc(c3)Nc3ncc(Cl)c(n3)N4)C2)cn1.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 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.39
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
CDK12 Q9NYV4 5/20 0.35
CCNK O75909 4/20 0.35
PROKR1 Q8TCW9 3/20 0.34
KDM5A P29375 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL1072532 0.96 ALK (0.42) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4358015 0.92 ALK (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4363614 0.91 ALK (0.42) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4357873 0.90 ALK (0.39) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4358464 0.90 ALK (0.37) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4356426 0.89 ALK (0.39) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4364873 0.89 ALK (0.39) ALKJAK2JAK1TYK2JAK3
SCHEMBL1076206 0.88 ALK (0.42) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4363806 0.87 ALK (0.37) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4357586 0.87 JAK2 (0.37) 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 3/4885JAK2 1/4885JAK1 2/4885

“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.