Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4356524

O=C(COc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2)N1CCN(c2ncccn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.49
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4358095 0.95 ALK (0.54) ALKKDM4EALDH1A1L3MBTL1LMNA
Trifluoroacetic Acid SCHEMBL4363761 0.93 ALK (0.48) ALKKDM4EALDH1A1L3MBTL1LMNA
Trifluoroacetic Acid SCHEMBL1076382 0.92 ALK (0.50) ALKKDM4EALDH1A1L3MBTL1LMNA
Trifluoroacetic Acid SCHEMBL4361886 0.92 ALK (0.48) ALKALDH1A1LMNAJAK2JAK1
Trifluoroacetic Acid SCHEMBL1074477 0.91 ALK (0.47) ALKKDM4EALDH1A1L3MBTL1LMNA
Trifluoroacetic Acid SCHEMBL4361598 0.90 ALK (0.46) ALKKDM4EALDH1A1L3MBTL1LMNA
Trifluoroacetic Acid SCHEMBL1074516 0.90 ALK (0.50) ALKALDH1A1LMNAJAK2JAK1
Trifluoroacetic Acid SCHEMBL1074290 0.90 ALK (0.50) ALKALDH1A1LMNAJAK2JAK1
Trifluoroacetic Acid SCHEMBL1075698 0.90 ALK (0.52) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL1076267 0.90 ALK (0.49) ALKKDM4EALDH1A1L3MBTL1LMNA

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 3/4885KDM4E 248/4885ALDH1A1 2511/4885

“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.