Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3529803

O=C(O)C(F)(F)F.O=C(c1cccc(C(F)F)c1F)N1CCN(Cc2cccc(Nc3ncns3)n2)CC1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.51
JAK2 O60674 2/20 0.35
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR6 P46095 1/20 0.34
AURKB Q96GD4 1/20 0.33
SOS1 Q07889 1/20 0.33
JAK3 P52333 1/20 0.33
SCN8A Q9UQD0 2/20 0.33
CXCR2 P25025 1/20 0.33
FAAH O00519 1/20 0.33
NTRK1 P04629 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL3527049 0.86 AURKA (0.68) AURKAALDH1A1KDM4EMEN1KMT2A
Trifluoroacetic Acid SCHEMBL3535511 0.85 AURKA (0.49) AURKAAURKBFAAH
SCHEMBL3537132 0.84 AURKA (0.54) AURKAMEN1KMT2AAURKBSCN8A
SCHEMBL3528885 0.82 AURKA (0.53) AURKAJAK2KCNH2ALDH1A1KDM4E
SCHEMBL3535327 0.82 AURKA (0.58) AURKAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3531365 0.79 AURKA (0.51) AURKAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3533075 0.77 AURKA (0.54) AURKAJAK2KCNH2ALDH1A1KDM4E
SCHEMBL3527053 0.77 AURKA (0.57) AURKAJAK2AURKB
Trifluoroacetic Acid SCHEMBL3536533 0.77 AURKA (0.54) AURKAJAK2ALDH1A1KDM4EMEN1
Trifluoroacetic Acid SCHEMBL3532949 0.77 AURKA (0.67) AURKAJAK2ALDH1A1AURKB

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 1/4885JAK2 505/4885KCNH2 541/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885JAK2 505/4885KCNH2 541/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885JAK2 505/4885KCNH2 541/4885

“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.