Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4369487

COc1ccc(N2CCN(C(=O)Nc3ccc4cc3CCc3cncc(c3)Nc3ncc(Cl)c(n3)N4)CC2)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 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.44
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
DGAT1 O75907 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1076084 0.95 ALK (0.48) ALKMAPTLMNATP53ALDH1A1
Trifluoroacetic Acid SCHEMBL4357967 0.94 ALK (0.46) ALKMAPTLMNATP53ALDH1A1
Trifluoroacetic Acid SCHEMBL4366764 0.93 ALK (0.45) ALKMAPTTP53DGAT1JAK2
Trifluoroacetic Acid SCHEMBL4368424 0.92 ALK (0.44) ALKMAPTTP53ALDH1A1DGAT1
Trifluoroacetic Acid SCHEMBL4365565 0.92 ALK (0.47) ALKMAPTLMNATP53ALDH1A1
Trifluoroacetic Acid SCHEMBL4366735 0.91 ALK (0.45) ALKMAPTJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL1074787 0.90 ALK (0.44) ALKMAPTTP53JAK2JAK1
Trifluoroacetic Acid SCHEMBL4357001 0.89 ALK (0.47) ALKMAPTLMNATP53ALDH1A1
SCHEMBL1076644 0.89 ALK (0.50) ALKMAPTLMNATP53ALDH1A1
Trifluoroacetic Acid SCHEMBL4363567 0.88 ALK (0.48) ALKMAPTTP53MAPK1GAA

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 3/4885MAPT 3239/4885LMNA 4393/4885

“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.