Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30172047

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NCCC(=O)N1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.43
▸ AURKB Q96GD4 7/20 0.37
▸ LCK P06239 6/20 0.37
▸ TTK P33981 1/20 0.35
▸ JAK2 O60674 4/20 0.34
▸ JAK1 P23458 4/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.32

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
SCHEMBL30385387 0.96 PTK6 (0.45) PTK6AURKBLCKTTKJAK2
SCHEMBL22122917 0.96 PTK6 (0.45) PTK6AURKBLCKTTKJAK2
SCHEMBL22142746 0.90 PTK6 (0.47) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL28982245 0.88 JAK1 (0.37) PTK6JAK2JAK1
Trifluoroacetic Acid SCHEMBL25170398 0.87 PTK6 (0.38) PTK6AURKBLCKTTKJAK2
SCHEMBL25450862 0.87 PTK6 (0.40) PTK6AURKBLCKTTKJAK2
SCHEMBL32675698 0.87 PTK6 (0.40) PTK6AURKBLCKTTKJAK2
Trifluoroacetic Acid SCHEMBL30385765 0.86 PTK6 (0.34) PTK6TTK
SCHEMBL25450905 0.86 PTK6 (0.36) PTK6AURKBLCKTTK
SCHEMBL32675687 0.86 PTK6 (0.36) PTK6AURKBLCKTTK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — 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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK6 2211/4885AURKB 3359/4885LCK 2521/4885

“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.

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