Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3485446

CC(C)(C)c1ccc(C(=O)Nc2cn3nc(N4CCN(Cc5ccccn5)CC4)ccc3n2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.45
MAP3K5 Q99683 4/20 0.44
CSNK1D P48730 6/20 0.43
CSNK1E P49674 6/20 0.43
SRPK1 Q96SB4 8/20 0.43

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
SCHEMBL13498824 0.95 MAP3K5 (0.48) MAP3K5CSNK1DCSNK1ESRPK1
Trifluoroacetic Acid SCHEMBL3486196 0.87 HIF1A (0.49) MAP3K5CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3486390 0.86 HIF1A (0.50) MAP3K5CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3486927 0.84 CSNK1D (0.51) MAP3K5CSNK1DCSNK1E
SCHEMBL13498827 0.83 MAP3K5 (0.47) MAP3K5CSNK1DCSNK1E
SCHEMBL13498826 0.81 HIF1A (0.48) MAP3K5CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3485934 0.81 MAP3K5 (0.52) MAP3K5CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3486132 0.81 MAP3K5 (0.48) MAP3K5CSNK1DCSNK1E
SCHEMBL13498825 0.80 MAP3K5 (0.51) MAP3K5CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3486516 0.80 MAP3K5 (0.46) 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 GPR6 1893/4885MAP3K5 42/4885CSNK1D 666/4885

“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.