Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3532360

O=C(O)C(F)(F)F.O=C(c1cc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)nc(Nc2cc[nH]n2)c1)N1CCOCC1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.52
AURKB Q96GD4 1/20 0.42
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
DYRK1A Q13627 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LRRK2 Q5S007 2/20 0.36
P2RX7 Q99572 3/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
SYK P43405 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL3531210 0.92 AURKA (0.53) AURKAAURKBALDH1A1MAPTALOX15
Trifluoroacetic Acid SCHEMBL3526834 0.92 AURKA (0.53) AURKAAURKBALDH1A1MAPTALOX15
SCHEMBL27718223 0.89 AURKA (0.56) AURKAAURKBALDH1A1MAPTALOX15
Trifluoroacetic Acid SCHEMBL3531753 0.88 AURKA (0.51) AURKAAURKBALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL3529922 0.87 AURKA (0.69) AURKAAURKBALDH1A1ALOX15MEN1
SCHEMBL3529266 0.85 AURKA (0.55) AURKAAURKBALDH1A1MAPTALOX15
Hydrochloric Acid SCHEMBL3533579 0.85 AURKA (0.54) AURKAAURKBALDH1A1MAPTALOX15
SCHEMBL3526135 0.83 AURKA (0.73) AURKAAURKBALDH1A1MAPTALOX15
SCHEMBL3531410 0.83 AURKA (0.57) AURKAAURKBALDH1A1MAPTALOX15
SCHEMBL3475612 0.81 AURKA (0.60) AURKAAURKBALDH1A1MAPTALOX15

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813609-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING SELECTIVE AURORA-A INHIBITORY EFFECT MSD KK (JP) 2013-06-19 EP disclosed
US-7834018-B2 aurora kinase inhibitors; 2-(thiazol-2-ylamino)pyridine compounds as antitumor agents; 6-((4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl)methyl)-N-thiazol-2-ylpyridin-2-amine for example BANYU PHARMACEUTICAL CO., LTD (JP) 2010-11-16 US disclosed
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2009-06-11 US disclosed
US-7491720-B2 Aminopyridine derivatives having Aurora A selective inhibitory action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action OHKUBO MITSURU 2008-01-31 US disclosed
EP-1813609-A2 NOVEL AMINOPYRIDINE DERIVATIVES HAVING SELECTIVE AURORA-A INHIBITORY EFFECT BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP disclosed
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2006-05-18 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 (3 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-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885ALDH1A1 1644/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885ALDH1A1 1644/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885ALDH1A1 1644/4885

“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.