Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4363567

COc1ccccc1N1CCN(C(=O)Nc2ccc3cc2CCc2cncc(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 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.48
MAPT P10636 3/20 0.44
RBP4 P02753 2/20 0.41
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
P2RY12 Q9H244 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL1075514 0.95 ALK (0.52) ALKMAPTRBP4GAATP53
Trifluoroacetic Acid SCHEMBL4364650 0.93 ALK (0.50) ALKRBP4
Trifluoroacetic Acid SCHEMBL4356313 0.91 ALK (0.48) ALKMAPT
Trifluoroacetic Acid SCHEMBL4365565 0.89 ALK (0.47) ALKMAPTRBP4GAATP53
Trifluoroacetic Acid SCHEMBL4366466 0.89 ALK (0.48) ALKP2RY12
Trifluoroacetic Acid SCHEMBL4357967 0.89 ALK (0.46) ALKMAPTGAATP53HTR1A
Trifluoroacetic Acid SCHEMBL4369487 0.88 ALK (0.44) ALKMAPTGAATP53MAPK1
SCHEMBL1074580 0.88 ALK (0.55) ALKRBP4NPC1
Trifluoroacetic Acid SCHEMBL4365359 0.87 ALK (0.46) ALKMAPTGAAKDM4EMAPK1
Trifluoroacetic Acid SCHEMBL4358444 0.87 ALK (0.49) ALKMAPTTP53MAPK1

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-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 3/4885MAPT 3239/4885RBP4 4612/4885

“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.