Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4086857

O=C(O)C(F)(F)F.c1cc(-c2cnn(CC3CCCCC3)c2)c2cc[nH]c2n1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.51
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
INCENP Q9NQS7 1/20 0.49
TPX2 Q9ULW0 1/20 0.49
CIT O14578 3/20 0.47
GRM4 Q14833 1/20 0.46
JAK2 O60674 6/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42

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 SCHEMBL4092066 0.95 AURKA (0.52) JAK1AURKAAURKBINCENPTPX2
SCHEMBL29540817 0.90 AURKB (0.59) JAK1AURKAAURKBINCENPTPX2
SCHEMBL98708 0.90 AURKB (0.59) JAK1AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4087441 0.87 AURKA (0.54) JAK1AURKAAURKBINCENPTPX2
SCHEMBL99209 0.85 AURKB (0.63) JAK1AURKAAURKBINCENPTPX2
SCHEMBL29540304 0.85 AURKB (0.63) JAK1AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4082148 0.84 AURKA (0.52) JAK1AURKAAURKBINCENPTPX2
SCHEMBL102694 0.82 AURKB (0.57) JAK1AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4095481 0.82 JAK1 (0.52) JAK1AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4082781 0.81 JAK1 (0.55) JAK1AURKAAURKBINCENPTPX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK1 2/4885AURKA 485/4885AURKB 198/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK1 2/4885AURKA 485/4885AURKB 198/4885

“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.