Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4361815

Cc1ccc(N2CCC(CC(=O)Nc3ccc4cc3CCc3cncc(c3)Nc3ncc(Cl)c(n3)N4)CC2)nn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.40
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
DEGS1 O15121 2/20 0.34
DGAT1 O75907 3/20 0.32
KCNH2 Q12809 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MGAT2 Q10469 1/20 0.31
SMO Q99835 1/20 0.31
CNR1 P21554 1/20 0.31
GPR6 P46095 1/20 0.30
ADORA2A P29274 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
SCHEMBL1073553 0.95 ALK (0.44) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4352958 0.91 ALK (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL1074523 0.91 ALK (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4354730 0.91 ALK (0.39) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL1074212 0.90 ALK (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4354343 0.90 ALK (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4359492 0.90 JAK2 (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4359367 0.89 ALK (0.42) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4365384 0.89 ALDH1A1 (0.41) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4365346 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 3/4885JAK2 1/4885JAK1 2/4885

“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.