Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL15399201

CC(C)(C(=O)O)n1cc(-c2ncnc3[nH]ccc23)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.66
HDAC6 Q9UBN7 9/20 0.50
JAK1 P23458 7/20 0.50
HDAC1 Q13547 7/20 0.49
JAK3 P52333 3/20 0.48
HDAC3 O15379 2/20 0.48
TYK2 P29597 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
NCOR2 Q9Y618 2/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.47
MELK Q14680 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL101288 0.88 JAK2 (0.61) JAK2HDAC6JAK1HDAC1JAK3
SCHEMBL15399202 0.86 JAK2 (0.63) JAK2HDAC6JAK1HDAC1JAK3
Trifluoroacetic Acid SCHEMBL5134407 0.83 AURKB (0.57) JAK2JAK1JAK3TYK2
SCHEMBL15389391 0.82 JAK2 (0.60) JAK2HDAC6JAK1HDAC1JAK3
SCHEMBL103973 0.81 JAK2 (0.61) JAK2HDAC6JAK1HDAC1JAK3
Trifluoroacetic Acid SCHEMBL4082191 0.80 JAK2 (0.59) JAK2HDAC6JAK1HDAC1JAK3
Trifluoroacetic Acid SCHEMBL860378 0.80 JAK2 (0.54) JAK2HDAC6JAK1HDAC1JAK3
SCHEMBL19832101 0.80 JAK2 (1.00) JAK2HDAC6JAK1HDAC1JAK3
Trifluoroacetic Acid SCHEMBL98584 0.79 JAK2 (0.65) JAK2HDAC6JAK1HDAC1JAK3
Trifluoroacetic Acid SCHEMBL20943722 0.79 JAK2 (0.65) JAK2HDAC6JAK1HDAC1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814722-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-11-14 US disclosed
US-20160346286-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2016-12-01 US disclosed
US-9206187-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as Janus kinase INCYTE HOLDINGS CORPORATION (US) 2015-12-08 US disclosed
US-8946245-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-02-03 US disclosed
US-20140005210-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION (US) 2014-01-02 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 (2 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-20160346286-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 JAK2 3/4885HDAC6 2492/4885JAK1 2/4885
US-20140005210-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 JAK2 3/4885HDAC6 2492/4885JAK1 2/4885

“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.