Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1075419

N#Cc1ccc(C(=O)N2CCC(CC(=O)Nc3ccc4cc3CCc3cccc(c3)Nc3ncc(Cl)c(n3)N4)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.45
GPR6 P46095 3/20 0.37
EGLN1 Q9GZT9 1/20 0.36
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
CXCR3 P49682 1/20 0.35
SYK P43405 1/20 0.35
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
STK26 Q9P289 1/20 0.34
STK24 Q9Y6E0 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
FASN P49327 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33

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
SCHEMBL13622648 0.96 ALK (0.49) ALKEGLN1TACR2TACR1CXCR3
Trifluoroacetic Acid SCHEMBL1073935 0.95 ALK (0.45) ALKTACR2TACR1SYKSTK4
Trifluoroacetic Acid SCHEMBL4357354 0.94 ALK (0.38) ALKGPR6EGLN1TACR2TACR1
Trifluoroacetic Acid SCHEMBL4356053 0.93 ALK (0.47) ALKTACR2TACR1STK4STK3
Trifluoroacetic Acid SCHEMBL1076875 0.93 ALK (0.46) ALKEGLN1TACR2TACR1STK4
Trifluoroacetic Acid SCHEMBL4357947 0.92 ALK (0.46) ALKTACR2TACR1STK4STK3
Trifluoroacetic Acid SCHEMBL4361228 0.90 ALK (0.45) ALKGPR6STK4STK3STK26
SCHEMBL13622640 0.90 ALK (0.48) ALKTACR2TACR1SYKSTK4
Trifluoroacetic Acid SCHEMBL4369361 0.90 ALK (0.39) ALKGPR6TACR2TACR1SYK
SCHEMBL1074984 0.89 ALK (0.41) ALKEGLN1TACR2TACR1CXCR3

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 6 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 claimed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP claimed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US claimed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO claimed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALK 3/4885GPR6 2491/4885EGLN1 1696/4885

“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.