Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL342230

Cc1cc(Nc2ccn[nH]2)nc(N2CCCC(c3ccccc3)C2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 9/20 0.42
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
RET P07949 1/20 0.40
RBP4 P02753 2/20 0.39
TTR P02766 2/20 0.39
GAA P10253 1/20 0.39
ACACB O00763 1/20 0.38

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 SCHEMBL342591 0.87 KDM4E (0.57) KDM4EHSD17B10MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL341448 0.87 KDM4E (0.57) KDM4EHSD17B10MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL474405 0.86 AURKA (0.40) KDM4EHSD17B10MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL342173 0.86 AURKA (0.40) KDM4EHSD17B10MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL342171 0.86 AURKA (0.40) KDM4EHSD17B10MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL343048 0.85 AURKA (0.40) AURKAAURKBINCENPRETRBP4
Trifluoroacetic Acid SCHEMBL343047 0.85 AURKA (0.40) AURKAAURKBINCENPRETRBP4
SCHEMBL473587 0.81 KDM4E (0.64) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL342172 0.81 AURKA (0.37) AURKAAURKBINCENPRETRBP4
SCHEMBL14670320 0.81 HSD17B10 (0.48) KDM4EHSD17B10MEN1ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 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 (1 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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB NAPEPLD 3355/4885KDM4E 621/4885HSD17B10 1328/4885

“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.