Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4357970

Cn1c(NC(=O)c2cc3cc(c2)OCCSc2cccc(c2)Nc2nc(ncc2Cl)N3)nc2ccccc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
PDE11A Q9HCR9 1/20 0.37
PDE10A Q9Y233 1/20 0.37
JAK2 O60674 7/20 0.37
JAK1 P23458 7/20 0.37
TYK2 P29597 7/20 0.37
JAK3 P52333 7/20 0.37
ALK Q9UM73 4/20 0.37
RPS6KA2 Q15349 4/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 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
SCHEMBL1075516 0.95 JAK2 (0.40) NPC1RAB9APDE11APDE10AJAK2
Trifluoroacetic Acid SCHEMBL4358380 0.89 JAK2 (0.41) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL4356679 0.84 JAK2 (0.41) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL4361936 0.84 JAK2 (0.42) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL4365885 0.84 JAK2 (0.40) NPC1RAB9AJAK2JAK1TYK2
SCHEMBL1072627 0.84 JAK2 (0.44) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL4361193 0.84 JAK2 (0.39) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL4359147 0.82 NPC1 (0.37) NPC1RAB9AJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL1074800 0.82 JAK2 (0.53) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL1073891 0.82 JAK2 (0.53) JAK2JAK1TYK2JAK3ALK

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 NPC1 2849/4885RAB9A 1998/4885PDE11A 4126/4885

“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.