Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1075347

N#Cc1cccnc1N1CCN(C(=O)COc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)CC1.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 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.45
KDM4E B2RXH2 2/20 0.43
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
TP53 P04637 1/20 0.36
HDAC2 Q92769 2/20 0.35
PARP1 P09874 2/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL1075498 0.96 ALK (0.48) ALKKDM4EJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4356133 0.92 ALK (0.47) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4361598 0.90 ALK (0.46) ALKKDM4EJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4356524 0.89 ALK (0.49) ALKKDM4EJAK2JAK1TYK2
SCHEMBL13633095 0.89 KDM4E (0.45) ALKKDM4EJAK2TP53HDAC2
Trifluoroacetic Acid SCHEMBL4352319 0.89 ALK (0.48) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL1075165 0.88 ALK (0.45) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4363761 0.87 ALK (0.48) ALKKDM4EJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL1075216 0.87 ALK (0.44) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL1076382 0.87 ALK (0.50) ALKKDM4EJAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALK 3/4885KDM4E 248/4885JAK2 1/4885

“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.