Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4086708

FC(F)(F)Oc1cccc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.46
GRM4 Q14833 1/20 0.44
TNIK Q9UKE5 2/20 0.44
ROCK2 O75116 3/20 0.43
ALK Q9UM73 2/20 0.43
CIT O14578 1/20 0.43
KCNH2 Q12809 1/20 0.43
ABL1 P00519 2/20 0.42
ROCK1 Q13464 2/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
TPX2 Q9ULW0 1/20 0.42
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
KLKB1 P03952 1/20 0.42
BCR P11274 1/20 0.41
AKT2 P31751 1/20 0.41
PRKCI P41743 1/20 0.41

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
SCHEMBL29540718 0.94 AURKA (0.47) JAK1GRM4TNIKROCK2ALK
SCHEMBL103270 0.94 AURKA (0.47) JAK1GRM4TNIKROCK2ALK
Trifluoroacetic Acid SCHEMBL4082781 0.88 JAK1 (0.55) JAK1GRM4ALKCITROCK1
Trifluoroacetic Acid SCHEMBL4092253 0.87 ALK (0.55) JAK1GRM4ROCK2ALKROCK1
Trifluoroacetic Acid SCHEMBL4093555 0.85 ROCK2 (0.48) JAK1GRM4TNIKROCK2CIT
Trifluoroacetic Acid SCHEMBL4082598 0.85 JAK1 (0.50) JAK1GRM4ALKCITROCK1
Trifluoroacetic Acid SCHEMBL4088813 0.85 CCNK (0.56) JAK1GRM4ALKCITABL1
Trifluoroacetic Acid SCHEMBL4089057 0.85 ALK (0.53) JAK1GRM4ALKAURKAAURKB
Trifluoroacetic Acid SCHEMBL4088053 0.84 ALK (0.55) JAK1GRM4TNIKALKCIT
Trifluoroacetic Acid SCHEMBL4088103 0.81 JAK1 (0.47) JAK1GRM4ALKCITROCK1

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 2/4885GRM4 2958/4885TNIK 743/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK1 2/4885GRM4 2958/4885TNIK 743/4885

“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.