Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL520773

COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1.O=C(O)C(F)(F)F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 19/20 0.64
INSR P06213 16/20 0.64
NPM1 P06748 16/20 0.64
JAK2 O60674 2/20 0.54
KCNH2 Q12809 1/20 0.54
TTK P33981 1/20 0.51
PTK2 Q05397 1/20 0.51

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
SCHEMBL16530443 0.94 ALK (0.71) ALKINSRNPM1JAK2KCNH2
Trifluoroacetic Acid SCHEMBL520186 0.91 ALK (0.63) ALKINSRNPM1JAK2PTK2
SCHEMBL16530463 0.87 ALK (0.69) ALKINSRNPM1JAK2KCNH2
SCHEMBL519699 0.86 ALK (0.64) ALKINSRNPM1JAK2KCNH2
Trifluoroacetic Acid SCHEMBL520312 0.85 ALK (0.70) ALKINSRNPM1JAK2KCNH2
SCHEMBL16530262 0.85 ALK (0.69) ALKINSRNPM1JAK2PTK2
Trifluoroacetic Acid SCHEMBL520314 0.85 ALK (0.69) ALKINSRNPM1JAK2KCNH2
SCHEMBL520672 0.84 ALK (0.85) ALKINSRNPM1JAK2
SCHEMBL2480125 0.84 ALK (0.62) ALKINSRNPM1JAK2KCNH2
SCHEMBL519434 0.84 ALK (0.77) ALKINSRNPM1JAK2PTK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP claimed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US claimed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US claimed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP claimed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO claimed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ALK 2/4885INSR 1738/4885NPM1 1309/4885

“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.