Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1075196

Cc1noc(C)c1C(=O)N1CC[C@H](NC(=O)Nc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.37
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
GFER P55789 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
BTK Q06187 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL4356278 0.96 ALK (0.39) ALKCYP11B1CYP11B2JAK2JAK1
Trifluoroacetic Acid SCHEMBL4363806 0.91 ALK (0.37) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL1072114 0.90 ALK (0.37) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4363614 0.89 ALK (0.42) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4360900 0.89 ALK (0.38) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4357586 0.88 JAK2 (0.37) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4358015 0.88 ALK (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4362935 0.88 ALK (0.36) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4362156 0.88 ALK (0.37) ALKCYP11B1CYP11B2JAK2JAK1
Trifluoroacetic Acid SCHEMBL4358405 0.86 ALK (0.39) ALKCYP11B1CYP11B2JAK2JAK1

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 4 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
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO 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 3/4885CYP11B1 2451/4885CYP11B2 2694/4885

“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.