Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4092253

FC(F)(F)c1cccc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.55
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
JAK1 P23458 3/20 0.48
GRM4 Q14833 1/20 0.46
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
AKT3 Q9Y243 1/20 0.46
ADORA2B P29275 7/20 0.45
BRAF P15056 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
TPX2 Q9ULW0 1/20 0.44
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
ADORA3 P0DMS8 3/20 0.44
ADORA2A P29274 3/20 0.44

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
SCHEMBL29540625 0.94 ALK (0.61) ALKROCK2ROCK1JAK1GRM4
SCHEMBL101922 0.94 ALK (0.61) ALKROCK2ROCK1JAK1GRM4
Trifluoroacetic Acid SCHEMBL4082781 0.90 JAK1 (0.55) ALKROCK1JAK1GRM4AURKA
Trifluoroacetic Acid SCHEMBL4088813 0.87 CCNK (0.56) ALKROCK1JAK1GRM4AURKA
Trifluoroacetic Acid SCHEMBL4086708 0.87 JAK1 (0.46) ALKROCK2ROCK1JAK1GRM4
Trifluoroacetic Acid SCHEMBL4089057 0.87 ALK (0.53) ALKJAK1GRM4AURKAAURKB
Trifluoroacetic Acid SCHEMBL4088053 0.86 ALK (0.55) ALKJAK1GRM4AURKAAURKB
Trifluoroacetic Acid SCHEMBL4082598 0.86 JAK1 (0.50) ALKROCK1JAK1GRM4AURKA
Trifluoroacetic Acid SCHEMBL4082680 0.85 BRAF (0.46) ALKJAK1GRM4AKT1AKT2
Trifluoroacetic Acid SCHEMBL4088103 0.83 JAK1 (0.47) ALKROCK1JAK1GRM4AURKA

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 ALK 458/4885ROCK2 1189/4885ROCK1 1782/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALK 458/4885ROCK2 1189/4885ROCK1 1782/4885

“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.