Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4082598

O=C(O)C(F)(F)F.c1ccc2cc(Cn3cc(-c4ccnc5[nH]ccc45)cn3)ccc2c1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.50
GRM4 Q14833 1/20 0.48
AURKB Q96GD4 4/20 0.44
AURKA O14965 3/20 0.44
INCENP Q9NQS7 1/20 0.44
TPX2 Q9ULW0 1/20 0.44
CCNK O75909 2/20 0.44
CDK12 Q9NYV4 2/20 0.44
JAK2 O60674 2/20 0.42
ALK Q9UM73 2/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42
FGFR1 P11362 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
SCHEMBL100073 0.91 GRM4 (0.55) JAK1GRM4AURKBAURKAINCENP
Trifluoroacetic Acid SCHEMBL4082781 0.90 JAK1 (0.55) JAK1GRM4AURKBAURKAINCENP
Trifluoroacetic Acid SCHEMBL4092253 0.86 ALK (0.55) JAK1GRM4AURKBAURKAINCENP
Trifluoroacetic Acid SCHEMBL4088813 0.85 CCNK (0.56) JAK1GRM4AURKBAURKAINCENP
Trifluoroacetic Acid SCHEMBL4086708 0.85 JAK1 (0.46) JAK1GRM4AURKBAURKAINCENP
Trifluoroacetic Acid SCHEMBL4093555 0.84 ROCK2 (0.48) JAK1GRM4AURKBAURKAINCENP
Trifluoroacetic Acid SCHEMBL4089057 0.84 ALK (0.53) JAK1GRM4AURKBAURKAINCENP
Trifluoroacetic Acid SCHEMBL4095963 0.83 JAK1 (0.46) JAK1GRM4AURKBAURKAINCENP
Trifluoroacetic Acid SCHEMBL4088053 0.83 ALK (0.55) JAK1GRM4AURKBAURKAINCENP
Trifluoroacetic Acid SCHEMBL4088103 0.83 JAK1 (0.47) JAK1GRM4AURKBAURKAINCENP

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 2958/4885AURKB 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 2/4885GRM4 2958/4885AURKB 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.