Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4362869

O=C(Nc1ccc2cc1CCc1cccc(c1)Nc1ncc(Cl)c(n1)N2)N[C@H]1CCN(C(=O)c2cccnc2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.44
EPHX2 P34913 3/20 0.40
CCNT1 O60563 1/20 0.39
EPHX1 P07099 1/20 0.36
KDM5A P29375 1/20 0.35
SYK P43405 1/20 0.34
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
STK26 Q9P289 1/20 0.34
STK24 Q9Y6E0 1/20 0.34
CDK14 O94921 1/20 0.34
CCNY Q8ND76 1/20 0.34
JAK2 O60674 7/20 0.34
JAK1 P23458 7/20 0.34
JAK3 P52333 7/20 0.34
TYK2 P29597 6/20 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
SCHEMBL1074578 0.96 ALK (0.48) ALKEPHX2CCNT1EPHX1KDM5A
Trifluoroacetic Acid SCHEMBL4356785 0.94 ALK (0.46) ALKEPHX2STK4STK3STK26
Trifluoroacetic Acid SCHEMBL4358255 0.94 ALK (0.47) ALKEPHX1STK4STK3STK26
Trifluoroacetic Acid SCHEMBL4364663 0.94 ALK (0.47) ALKEPHX1STK4STK3STK26
Trifluoroacetic Acid SCHEMBL4358015 0.91 ALK (0.40) ALKEPHX2EPHX1KDM5ACDK14
SCHEMBL1075511 0.90 ALK (0.50) ALKEPHX1KDM5ASTK4STK3
SCHEMBL1074561 0.90 ALK (0.50) ALKEPHX1KDM5ASTK4STK3
Trifluoroacetic Acid SCHEMBL4361604 0.90 ALK (0.50) ALKEPHX2STK4STK3STK26
Trifluoroacetic Acid SCHEMBL4360830 0.90 ALK (0.50) ALKEPHX2STK4STK3STK26
SCHEMBL1076125 0.90 ALK (0.49) ALKKDM5ASTK4STK3STK26

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 3/4885EPHX2 4177/4885CCNT1 1529/4885

“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.