Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4082523

O=C(O)C(F)(F)F.c1ccc2oc(-c3cnn(-c4ccnc5[nH]ccc45)c3)nc2c1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
GRM4 Q14833 1/20 0.44
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
JAK1 P23458 3/20 0.38
MET P08581 5/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36

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
SCHEMBL99579 0.91 PRKCI (0.53) PRKCIGRM4MAPTTP53JAK1
Trifluoroacetic Acid SCHEMBL4082067 0.84 PRKCI (0.54) PRKCIGRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4095832 0.80 PRKCI (0.51) PRKCIGRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4082707 0.78 PRKCI (0.52) PRKCIGRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4095594 0.78 PRKCI (0.51) PRKCIGRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4086493 0.77 PRKCI (0.48) PRKCIGRM4JAK1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4092334 0.77 GRM4 (0.50) PRKCIGRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4099689 0.76 PRKCI (0.47) PRKCIGRM4JAK1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4086134 0.76 PRKCI (0.43) PRKCIGRM4METAURKAAURKB
Trifluoroacetic Acid SCHEMBL14973936 0.76 GRM4 (0.47) PRKCIGRM4JAK1AURKAAURKB

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 2958/4885MAPT 3547/4885
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 2958/4885MAPT 3547/4885

“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.