Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3529922

O=C(O)C(F)(F)F.O=C(c1cccc(C(F)(F)F)c1F)N1CCN(Cc2cccc(Nc3cc[nH]n3)n2)CC1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.69
AURKB Q96GD4 5/20 0.47
INCENP Q9NQS7 2/20 0.41
P2RX7 Q99572 6/20 0.40
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
PARP1 P09874 1/20 0.37
EPHX2 P34913 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 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
SCHEMBL3526135 0.97 AURKA (0.73) AURKAAURKBINCENPP2RX7KDM4E
Trifluoroacetic Acid SCHEMBL3527263 0.91 AURKA (0.59) AURKAP2RX7
Trifluoroacetic Acid SCHEMBL3526618 0.90 AURKA (0.55) AURKAAURKBINCENPKDM4EMEN1
SCHEMBL3475612 0.88 AURKA (0.60) AURKAAURKBP2RX7KDM4EMEN1
SCHEMBL27697792 0.87 AURKA (0.62) AURKAP2RX7
Trifluoroacetic Acid SCHEMBL3526834 0.87 AURKA (0.53) AURKAAURKBP2RX7KDM4EMEN1
Trifluoroacetic Acid SCHEMBL3531210 0.87 AURKA (0.53) AURKAAURKBINCENPP2RX7KDM4E
Hydrochloric Acid SCHEMBL3530557 0.87 AURKA (0.59) AURKAAURKBP2RX7KDM4EMEN1
Trifluoroacetic Acid SCHEMBL3532360 0.87 AURKA (0.52) AURKAAURKBP2RX7KDM4EMEN1
SCHEMBL3531410 0.85 AURKA (0.57) AURKAAURKBP2RX7KDM4EMEN1

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 10 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
EP-1828165-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD KK (JP) 2013-03-20 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-1828165-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-09-05 EP 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
WO-2006046735-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 WO 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 3/4885INCENP 506/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885INCENP 506/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885INCENP 506/4885

“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.