Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3531753

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)N1CCN(c2ccccn2)CC1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.51
P2RX7 Q99572 2/20 0.41
RAB9A P51151 1/20 0.41
AURKB Q96GD4 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
PARP1 P09874 1/20 0.38
SCD O00767 1/20 0.38
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37

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 SCHEMBL3526834 0.89 AURKA (0.53) AURKAP2RX7AURKBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL3531210 0.89 AURKA (0.53) AURKAP2RX7AURKBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL3532360 0.88 AURKA (0.52) AURKAP2RX7AURKBMEN1KMT2A
SCHEMBL27718223 0.86 AURKA (0.56) AURKAP2RX7AURKBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL3529922 0.83 AURKA (0.69) AURKAP2RX7AURKBMEN1KMT2A
SCHEMBL3529266 0.82 AURKA (0.55) AURKAP2RX7AURKBMEN1KMT2A
Hydrochloric Acid SCHEMBL3533579 0.81 AURKA (0.54) AURKAP2RX7AURKBMEN1KMT2A
SCHEMBL3526135 0.80 AURKA (0.73) AURKAP2RX7AURKBMEN1KMT2A
SCHEMBL3531410 0.80 AURKA (0.57) AURKAP2RX7AURKBMEN1KMT2A
SCHEMBL3475612 0.78 AURKA (0.60) AURKAP2RX7AURKBMEN1KMT2A

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 1/4885P2RX7 2461/4885RAB9A 290/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885P2RX7 2461/4885RAB9A 290/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885P2RX7 2461/4885RAB9A 290/4885

“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.