Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4088375

O=C(O)C(F)(F)F.c1ccc2c(c1)cnn2-c1ccnc2[nH]ccc12

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.41
CDK12 Q9NYV4 2/20 0.41
PRKCI P41743 2/20 0.40
GRM4 Q14833 1/20 0.40
NUDT1 P36639 5/20 0.39
MET P08581 4/20 0.38
AURKB Q96GD4 2/20 0.38
MAPK8 P45983 2/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38

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
SCHEMBL100777 0.89 CCNK (0.49) CCNKCDK12PRKCIGRM4NUDT1
Trifluoroacetic Acid SCHEMBL4082067 0.76 PRKCI (0.54) PRKCIGRM4NUDT1AURKBMAPK8
Trifluoroacetic Acid SCHEMBL4086134 0.76 PRKCI (0.43) PRKCIGRM4NUDT1METAURKB
Trifluoroacetic Acid SCHEMBL4097306 0.73 PRKCI (0.50) PRKCIGRM4NUDT1METAURKB
SCHEMBL29940967 0.72 PRKCI (0.45) CCNKCDK12PRKCIGRM4NUDT1
SCHEMBL28867026 0.72 PRKCI (0.45) CCNKCDK12PRKCIGRM4NUDT1
Trifluoroacetic Acid SCHEMBL4095832 0.72 PRKCI (0.51) PRKCIGRM4NUDT1AURKBMAPK8
Trifluoroacetic Acid SCHEMBL4092334 0.72 GRM4 (0.50) PRKCIGRM4NUDT1AURKBMAPK8
Trifluoroacetic Acid SCHEMBL4092717 0.71 GRM4 (0.81) GRM4NUDT1AURKBMAPK8IKBKB
Trifluoroacetic Acid SCHEMBL4082523 0.70 PRKCI (0.44) PRKCIGRM4METAURKBAURKA

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 CCNK 374/4885CDK12 367/4885PRKCI 304/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CCNK 374/4885CDK12 367/4885PRKCI 304/4885

“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.