Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4362935

O=C(Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2)N[C@H]1CCN(C(=O)c2cc(C3CC3)on2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
SMYD3 Q9H7B4 11/20 0.32
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL1074940 0.96 ALK (0.38) ALKMEN1KMT2AJAK2JAK1
Trifluoroacetic Acid SCHEMBL4363806 0.92 ALK (0.37) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4357586 0.89 JAK2 (0.37) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4358015 0.88 ALK (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4363614 0.88 ALK (0.42) ALKJAK2JAK1TYK2JAK3
SCHEMBL4361253 0.88 ALK (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL1075196 0.88 ALK (0.37) ALKMEN1KMT2AJAK2JAK1
Trifluoroacetic Acid SCHEMBL4357873 0.88 ALK (0.39) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL1072114 0.87 ALK (0.37) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4358464 0.86 ALK (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 3/4885MEN1 1321/4885KMT2A 382/4885

“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.