Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4838115

N#Cc1ccc(N2CCN(CCOc3ccc(-c4nc5cc(Br)cnc5[nH]4)cc3)CC2)nc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.41
KCNH2 Q12809 2/20 0.41
PARP1 P09874 2/20 0.40
PARP2 Q9UGN5 1/20 0.40
TIPARP Q7Z3E1 4/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
CHEK2 O96017 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
AR P10275 1/20 0.39
TBK1 Q9UHD2 3/20 0.38
KCNA5 P22460 2/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL4844672 0.93 DRD2 (0.45) DRD2DRD3TBK1ACHE
Trifluoroacetic Acid SCHEMBL4842199 0.89 KMT2A (0.44) DGAT1KCNH2PARP1PARP2TIPARP
Trifluoroacetic Acid SCHEMBL4840505 0.87 DRD2 (0.55) DRD2DRD3ACHE
Trifluoroacetic Acid SCHEMBL4839705 0.87 DRD2 (0.43) DRD2DRD3CHEK2TBK1KCNA5
Trifluoroacetic Acid SCHEMBL4844003 0.86 HRH3 (0.47) DRD2DRD3CHEK2TBK1ACHE
Trifluoroacetic Acid SCHEMBL4842301 0.86 DRD2 (0.54) DRD2DRD3CHEK2TBK1ACHE
Trifluoroacetic Acid SCHEMBL4843197 0.85 TBK1 (0.51) DRD3CHEK2TBK1ACHE
Trifluoroacetic Acid SCHEMBL4841456 0.85 CHEK2 (0.45) DRD2DRD3CHEK2TBK1ACHE
Trifluoroacetic Acid SCHEMBL4842116 0.85 CHEK2 (0.53) PARP1CHEK2TBK1ACHE
SCHEMBL6245898 0.85 CHEK2 (0.41) DGAT1KCNH2PARP1TIPARPDRD2

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-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 DGAT1 4827/4885KCNH2 497/4885PARP1 2096/4885

“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.