Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4081895

N#Cc1ccc(-c2ccn(-c3ccnc4[nH]ccc34)n2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.37
PRKCI P41743 2/20 0.36
AURKA O14965 3/20 0.35
AURKB Q96GD4 3/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
GRM5 P41594 1/20 0.34
MET P08581 4/20 0.34
SLC22A12 Q96S37 1/20 0.34
CRHR1 P34998 2/20 0.34
PBK Q96KB5 1/20 0.34
RIPK1 Q13546 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 1/20 0.33
LYN P07948 1/20 0.33
IGF1R P08069 1/20 0.33
ROCK1 Q13464 1/20 0.33
INCENP Q9NQS7 1/20 0.33
GAK O14976 1/20 0.33

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
SCHEMBL99492 0.90 PRKCI (0.43) JAK3PRKCIAURKBIKBKBCHUK
Trifluoroacetic Acid SCHEMBL4082497 0.90 GRM5 (0.48) PRKCIGRM5METSLC22A12CRHR1
Trifluoroacetic Acid SCHEMBL4092178 0.88 MAPK14 (0.41) PRKCIAURKAAURKBIKBKBCHUK
Trifluoroacetic Acid SCHEMBL4093205 0.87 AKT1 (0.43) PRKCIAURKAAURKBIKBKBCHUK
Trifluoroacetic Acid SCHEMBL4092614 0.85 MET (0.43) MET
Trifluoroacetic Acid SCHEMBL4086835 0.83 PRKCI (0.48) JAK3PRKCIAURKAAURKBRIPK1
Trifluoroacetic Acid SCHEMBL4093224 0.82 TEK (0.44) GRM5
Trifluoroacetic Acid SCHEMBL4088295 0.81 PRKCI (0.41) JAK3PRKCIAURKAAURKBIKBKB
Trifluoroacetic Acid SCHEMBL4092155 0.81 CAPN1 (0.46) PRKCIMETROCK1KDR
Trifluoroacetic Acid SCHEMBL4097114 0.81 CTSA (0.36) PRKCIAURKAAURKBMETKIT

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 JAK3 1/4885PRKCI 304/4885AURKA 485/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK3 1/4885PRKCI 304/4885AURKA 485/4885

“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.