Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4357967

COc1cccc(N2CCN(C(=O)Nc3ccc4cc3CCc3cncc(c3)Nc3ncc(Cl)c(n3)N4)CC2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 6/20 0.39
HSD17B10 Q99714 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37

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
SCHEMBL1076644 0.95 ALK (0.50) ALKGAAKMT2ALMNATP53
Trifluoroacetic Acid SCHEMBL4369487 0.94 ALK (0.44) ALKGAAKMT2ALMNAHSD17B10
Trifluoroacetic Acid SCHEMBL4357001 0.93 ALK (0.47) ALKGAAKMT2ALMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4365565 0.92 ALK (0.47) ALKGAAKMT2ALMNAHSD17B10
Trifluoroacetic Acid SCHEMBL4366764 0.89 ALK (0.45) ALKKMT2ATP53KDM4EHTT
Trifluoroacetic Acid SCHEMBL4366735 0.89 ALK (0.45) ALKKDM4EJAK2JAK1TYK2
SCHEMBL1076084 0.89 ALK (0.48) ALKGAAKMT2ALMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4363567 0.89 ALK (0.48) ALKGAATP53MAPK1KDM4E
Trifluoroacetic Acid SCHEMBL4368424 0.88 ALK (0.44) ALKHSD17B10SMN1; SMN2TP53KDM4E
SCHEMBL1076882 0.88 ALK (0.51) ALKGAAKMT2ASMN1; SMN2TP53

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 3/4885GAA 2377/4885KMT2A 382/4885

“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.