Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4087921

O=C(O)C(F)(F)F.O=[N+]([O-])c1ccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)cc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.47
GRM4 Q14833 1/20 0.42
JAK1 P23458 3/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
AURKA O14965 4/20 0.36
AURKB Q96GD4 4/20 0.36
INCENP Q9NQS7 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TTBK1 Q5TCY1 2/20 0.34
TTBK2 Q6IQ55 2/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
JAK2 O60674 1/20 0.34
CHEK1 O14757 2/20 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
SCHEMBL29540652 0.91 PRKCI (0.56) PRKCIGRM4JAK1DYRK1ADYRK1B
SCHEMBL101409 0.91 PRKCI (0.56) PRKCIGRM4JAK1DYRK1ADYRK1B
Trifluoroacetic Acid SCHEMBL4086259 0.89 PRKCI (0.44) PRKCIGRM4ALDH1A1MAPTMEN1
Trifluoroacetic Acid SCHEMBL4082707 0.87 PRKCI (0.52) PRKCIGRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4082067 0.87 PRKCI (0.54) PRKCIGRM4JAK1DYRK1ADYRK1B
Trifluoroacetic Acid SCHEMBL4095594 0.86 PRKCI (0.51) PRKCIGRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4086835 0.84 PRKCI (0.48) PRKCIGRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4099614 0.84 PRKCI (0.48) PRKCIGRM4AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4095832 0.82 PRKCI (0.51) PRKCIGRM4JAK1DYRK1ADYRK1B
Trifluoroacetic Acid SCHEMBL4087906 0.82 GRM4 (0.48) 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 2958/4885JAK1 2/4885
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 2958/4885JAK1 2/4885

“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.