Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4095963

N#Cc1ccc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 10/20 0.46
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
TPX2 Q9ULW0 1/20 0.45
JAK2 O60674 11/20 0.45
GRM4 Q14833 1/20 0.45
JAK3 P52333 3/20 0.44
TYK2 P29597 2/20 0.44
KLKB1 P03952 1/20 0.44
ITK Q08881 1/20 0.43
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 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
SCHEMBL101771 0.91 AURKB (0.54) JAK1AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4089057 0.90 ALK (0.53) JAK1AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4082781 0.89 JAK1 (0.55) JAK1AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4086714 0.88 JAK1 (0.45) JAK1AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4096450 0.84 GRM4 (0.62) JAK1AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4088813 0.84 CCNK (0.56) JAK1AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4087756 0.84 GRM4 (0.48) JAK1AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4088103 0.84 JAK1 (0.47) JAK1AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL99804 0.83 AURKA (0.51) JAK1AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4082598 0.83 JAK1 (0.50) 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.