Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL517839

COc1cc(N2CCC(N)CC2)ccc1Nc1ncc(F)c(-c2c[nH]c3ccccc23)n1.O=C(O)C(F)(F)F

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.73
EGFR P00533 9/20 0.62
IGF1R P08069 5/20 0.52
CDK2 P24941 4/20 0.52
DYRK1B Q9Y463 1/20 0.47
DCLK1 O15075 1/20 0.46
MAPK7 Q13164 1/20 0.46
LRRK2 Q5S007 1/20 0.46
FLT4 P35916 1/20 0.46
PTK2 Q05397 1/20 0.46

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
SCHEMBL517907 0.94 ALK (0.83) ALKEGFRIGF1RCDK2DYRK1B
SCHEMBL517390 0.85 ALK (0.84) ALKEGFRIGF1RCDK2DYRK1B
SCHEMBL517036 0.85 EGFR (0.74) ALKEGFRIGF1RCDK2DYRK1B
SCHEMBL517412 0.85 ALK (1.00) ALKEGFRIGF1R
SCHEMBL29355191 0.85 ALK (1.00) ALKEGFRIGF1R
SCHEMBL517477 0.83 EGFR (0.84) ALKEGFRIGF1RMAPK7LRRK2
Trifluoroacetic Acid SCHEMBL517520 0.81 EGFR (0.61) ALKEGFRIGF1RMAPK7LRRK2
SCHEMBL517301 0.79 EGFR (0.72) ALKEGFRIGF1RCDK2
Trifluoroacetic Acid SCHEMBL517834 0.78 ALK (0.63) ALKEGFRIGF1RCDK2
SCHEMBL517786 0.78 ALK (0.83) ALKEGFRIGF1RCDK2

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-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 ALK 1/4885EGFR 40/4885IGF1R 499/4885

“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.