Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4086259

O=C(O)C(F)(F)F.O=[N+]([O-])c1cccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)c1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.44
GRM4 Q14833 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 1/20 0.37
PLK1 P53350 1/20 0.37
KEAP1 Q14145 3/20 0.36
NFE2L2 Q16236 3/20 0.36
PIM1 P11309 1/20 0.36
CDK4 P11802 1/20 0.36
CCND3 P30281 1/20 0.36
MTOR P42345 1/20 0.36
GSK3B P49841 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALK Q9UM73 1/20 0.35

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
SCHEMBL29540366 0.92 PRKCI (0.52) PRKCIGRM4TDP1PDE3BPDE3A
SCHEMBL102324 0.92 PRKCI (0.52) PRKCIGRM4TDP1PDE3BPDE3A
Trifluoroacetic Acid SCHEMBL4087921 0.89 PRKCI (0.47) PRKCIGRM4MEN1KMT2AMTOR
Trifluoroacetic Acid SCHEMBL4086493 0.86 PRKCI (0.48) PRKCIGRM4MEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL4082067 0.86 PRKCI (0.54) PRKCIGRM4ALK
Trifluoroacetic Acid SCHEMBL4099689 0.85 PRKCI (0.47) PRKCIGRM4MEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL4086536 0.85 SMN1; SMN2 (0.39) PRKCIMEN1KMT2ASMN1; SMN2RIPK1
Trifluoroacetic Acid SCHEMBL4095832 0.83 PRKCI (0.51) PRKCIGRM4ALK
Trifluoroacetic Acid SCHEMBL4088476 0.83 CDK8 (0.47) PRKCIGRM4MEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL4088293 0.83 GRM5 (0.47) PRKCIGRM4MEN1KMT2ANPC1

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 PRKCI 304/4885GRM4 2958/4885TDP1 1172/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885GRM4 2958/4885TDP1 1172/4885

“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.