Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4096255

N#Cc1cccc(-c2nc(-c3ccnc4[nH]ccc34)no2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.49
S1PR1 P21453 2/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNA5 P30532 1/20 0.48
CHRNA4 P43681 1/20 0.48
GRM5 P41594 1/20 0.47
PRKCI P41743 1/20 0.45
IKBKB O14920 3/20 0.41
CHUK O15111 3/20 0.41
JAK2 O60674 2/20 0.41
PRKACA P17612 2/20 0.41
JAK3 P52333 2/20 0.41
PRKCQ Q04759 2/20 0.41
ROCK1 Q13464 2/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 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
SCHEMBL100554 0.91 S1PR1 (0.58) S1PR3S1PR1CHRNB2CHRNA5CHRNA4
SCHEMBL857991 0.77 S1PR1 (0.61) S1PR3S1PR1GRM5PRKCIIKBKB
SCHEMBL12127217 0.76 NUDT1 (0.64) PRKCIIKBKBCHUKJAK2PRKACA
Trifluoroacetic Acid SCHEMBL4097362 0.75 SGK1 (0.40) GRM5PRKCIIKBKBCHUKJAK2
Trifluoroacetic Acid SCHEMBL4088824 0.74 GRM4 (0.61) GRM5PRKCIJAK2JAK3AURKB
Trifluoroacetic Acid SCHEMBL4082497 0.74 GRM5 (0.48) GRM5PRKCISYKSGK1NEK1
Trifluoroacetic Acid SCHEMBL4088293 0.73 GRM5 (0.47) GRM5PRKCIJAK2SYKSGK1
Trifluoroacetic Acid SCHEMBL4089057 0.72 ALK (0.53) JAK2JAK3AURKBALK
SCHEMBL12619044 0.72 S1PR1 (0.59) S1PR3S1PR1PRKCINUDT1
SCHEMBL12619214 0.71 S1PR1 (0.58) S1PR3S1PR1

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 S1PR3 1348/4885S1PR1 1751/4885CHRNB2 4730/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 S1PR3 1348/4885S1PR1 1751/4885CHRNB2 4730/4885

“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.