Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3486516

CN(Cc1ccccn1)c1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)cn2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 12/20 0.46
CSNK1D P48730 6/20 0.41
CSNK1E P49674 6/20 0.41
RET P07949 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 2/20 0.41
ITK Q08881 2/20 0.41
MERTK Q12866 2/20 0.41
PRKAA1 Q13131 2/20 0.41
ROCK1 Q13464 2/20 0.41
MAP3K6 O95382 2/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13498817 0.95 MAP3K5 (0.48) MAP3K5CSNK1DCSNK1ERETCDK2
Trifluoroacetic Acid SCHEMBL3486351 0.92 MAP3K5 (0.45) MAP3K5CSNK1DCSNK1ERETCDK2
SCHEMBL13498818 0.87 MAP3K5 (0.47) MAP3K5CSNK1DCSNK1ERETCDK2
SCHEMBL13498928 0.84 MAP3K5 (0.53) MAP3K5CSNK1DCSNK1ERETCDK2
Trifluoroacetic Acid SCHEMBL3485446 0.80 GPR6 (0.45) MAP3K5CSNK1DCSNK1E
SCHEMBL3487045 0.79 MAP3K5 (0.51) MAP3K5RETCDK2GSK3BITK
SCHEMBL13498801 0.78 MAP3K5 (0.59) MAP3K5CSNK1DCSNK1ERETCDK2
Hydrochloric Acid SCHEMBL3485897 0.77 MAP3K5 (0.58) MAP3K5CSNK1DCSNK1ERETCDK2
Trifluoroacetic Acid SCHEMBL3485978 0.74 MAP3K5 (0.43) MAP3K5CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3486616 0.74 MAP3K5 (0.52) MAP3K5CSNK1DCSNK1E

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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 MAP3K5 42/4885CSNK1D 666/4885CSNK1E 772/4885

“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.