Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3532665

O=C(O)C(F)(F)F.O=CC1CCN(Cc2cccc(Nc3ncns3)n2)CC1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.38
AURKA O14965 6/20 0.37
AURKB Q96GD4 5/20 0.37
INCENP Q9NQS7 5/20 0.37
SCN8A Q9UQD0 4/20 0.36
ACKR3 P25106 2/20 0.36
JAK2 O60674 2/20 0.35
KCNH2 Q12809 2/20 0.35
JAK3 P52333 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SCN1A P35498 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
LCK P06239 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 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
SCHEMBL3532669 0.81 ACKR3 (0.39) AURKAAURKBINCENPSCN8AACKR3
Trifluoroacetic Acid SCHEMBL3535511 0.78 AURKA (0.49) AURKAAURKBINCENPLCK
Trifluoroacetic Acid SCHEMBL3533123 0.77 PTGDR2 (0.40) GPR6AURKAAURKBINCENPSCN8A
Trifluoroacetic Acid SCHEMBL3529803 0.76 AURKA (0.51) GPR6AURKAAURKBSCN8AJAK2
SCHEMBL3535327 0.74 AURKA (0.58) AURKA
SCHEMBL3533406 0.74 ABL1 (0.47) AURKA
SCHEMBL3527049 0.73 AURKA (0.68) AURKAAURKBINCENP
SCHEMBL3533772 0.73 KDM4E (0.45) AURKAL3MBTL1
SCHEMBL3537132 0.71 AURKA (0.54) AURKAAURKBSCN8ALCK
SCHEMBL3536534 0.70 LMNA (0.48) AURKAL3MBTL1

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 GPR6 3153/4885AURKA 1/4885AURKB 3/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB GPR6 3153/4885AURKA 1/4885AURKB 3/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB GPR6 3153/4885AURKA 1/4885AURKB 3/4885

“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.