Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4356313

O=C(Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2)N1CCN(c2ccccc2F)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 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.48
PANK3 Q9H999 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 6/20 0.36
POLB P06746 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1075765 0.96 ALK (0.52) ALKPANK3JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4364650 0.95 ALK (0.50) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4365565 0.92 ALK (0.47) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4366466 0.91 ALK (0.48) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4363567 0.91 ALK (0.48) ALKMAPT
SCHEMBL1074580 0.90 ALK (0.55) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4365359 0.90 ALK (0.46) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4357972 0.89 KDM4E (0.45) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4368424 0.89 ALK (0.44) ALKPANK3JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4357680 0.89 ALK (0.43) 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 3/4885PANK3 725/4885JAK2 1/4885

“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.