Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3535511

O=C(O)C(F)(F)F.O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2cccc(Nc3ncns3)n2)CC1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.49
AURKB Q96GD4 5/20 0.40
INCENP Q9NQS7 4/20 0.40
GAA P10253 1/20 0.38
PAK1 Q13153 1/20 0.38
THRB P10828 1/20 0.37
FAAH O00519 1/20 0.37
P2RX7 Q99572 5/20 0.37
LCK P06239 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
SCHEMBL3531365 0.94 AURKA (0.51) AURKAAURKBGAAPAK1THRB
SCHEMBL3537132 0.88 AURKA (0.54) AURKAAURKBTHRBFAAHLCK
Trifluoroacetic Acid SCHEMBL3529803 0.85 AURKA (0.51) AURKAAURKBFAAH
SCHEMBL3535327 0.84 AURKA (0.58) AURKAP2RX7
SCHEMBL3527049 0.83 AURKA (0.68) AURKAAURKBINCENPP2RX7
Trifluoroacetic Acid SCHEMBL3530220 0.81 AURKA (0.57) AURKAAURKB
SCHEMBL3531985 0.81 AURKA (0.69) AURKAAURKBINCENPGAATHRB
SCHEMBL3531279 0.81 AURKA (0.51) AURKAAURKBGAAPAK1THRB
Trifluoroacetic Acid SCHEMBL3533606 0.79 AURKA (0.53) AURKAAURKBLCK
SCHEMBL3533406 0.78 ABL1 (0.47) AURKA

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 3/4885INCENP 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.