Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4359073

N#Cc1ccccc1NC(=O)N1CCC(CCOc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.46
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
P2RY12 Q9H244 2/20 0.34
IRAK4 Q9NWZ3 7/20 0.33
FAAH O00519 1/20 0.33
CTSS P25774 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 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
SCHEMBL1074382 0.96 ALK (0.49) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4361735 0.92 ALK (0.48) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4357284 0.90 ALK (0.50) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4354451 0.89 ALK (0.45) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4357377 0.89 ALK (0.38) ALKJAK2JAK1TYK2JAK3
SCHEMBL4365610 0.89 ALK (0.51) ALKJAK2JAK1TYK2JAK3
SCHEMBL4359464 0.87 ALK (0.53) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4355840 0.87 ALK (0.48) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4364659 0.87 ALK (0.47) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4367352 0.87 ALK (0.38) 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.