Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30171818

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCC1CCN(C(=O)C2CCNCC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 4/20 0.39
▸ PTK6 Q13882 6/20 0.39
▸ TTK P33981 5/20 0.36
▸ AURKB Q96GD4 5/20 0.35
▸ LCK P06239 3/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ RORC P51449 1/20 0.32
▸ 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
SCHEMBL22122899 0.96 PTK2 (0.41) PTK2PTK6TTKAURKBLCK
SCHEMBL22123264 0.91 PTK2 (0.46) PTK2PTK6TTKAURKBCNR2
Trifluoroacetic Acid SCHEMBL30171952 0.89 PTK2 (0.37) PTK2PTK6TTKAURKBCNR2
Formic Acid SCHEMBL30171777 0.89 PTK2 (0.44) PTK2PTK6TTKAURKBCNR2
Trifluoroacetic Acid SCHEMBL30385667 0.88 PTK6 (0.33) PTK2PTK6TTK
SCHEMBL25451152 0.88 PTK6 (0.35) PTK2PTK6TTKAURKBLCK
SCHEMBL22123498 0.88 PTK2 (0.36) PTK2PTK6TTKCNR2MAPKAPK5
SCHEMBL22122975 0.87 F10 (0.41) PTK2PTK6TTKMAPKAPK5
SCHEMBL30171900 0.87 F10 (0.41) PTK2PTK6TTKMAPKAPK5
SCHEMBL22124009 0.87 PTK6 (0.48) PTK6TTKAURKBLCK

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
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
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 PTK2 4090/4885PTK6 2211/4885TTK 4482/4885

“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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