Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1501006

O=C(O)C(F)(F)F.O=C(O)[C@]1(Cc2cccc(Nc3cc[nH]n3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.77
AURKB Q96GD4 17/20 0.77
INCENP Q9NQS7 17/20 0.77
PLK4 O00444 1/20 0.66
JAK2 O60674 1/20 0.66
STK10 O94804 1/20 0.66
ABL1 P00519 1/20 0.66
RET P07949 1/20 0.66
BCR P11274 1/20 0.66
FER P16591 1/20 0.66
EPHA2 P29317 1/20 0.66
ACVR1B P36896 1/20 0.66
TGFBR1 P36897 1/20 0.66
TEC P42680 1/20 0.66
ABL2 P42684 1/20 0.66
FRK P42685 1/20 0.66
MAPK8 P45983 1/20 0.66
IRAK1 P51617 1/20 0.66
LIMK1 P53667 1/20 0.66
MAPK10 P53779 1/20 0.66

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
SCHEMBL12760570 0.96 AURKA (0.71) AURKAAURKBINCENPPLK4JAK2
Trifluoroacetic Acid SCHEMBL10004927 0.92 AURKA (0.66) AURKAAURKBINCENPPLK4JAK2
Trifluoroacetic Acid SCHEMBL4464079 0.92 AURKA (0.65) AURKAAURKBINCENPPLK4JAK2
Trifluoroacetic Acid SCHEMBL1501454 0.92 AURKA (0.65) AURKAAURKBINCENPPLK4JAK2
Trifluoroacetic Acid SCHEMBL1501130 0.91 AURKA (0.76) AURKAAURKBINCENPPLK4JAK2
Trifluoroacetic Acid SCHEMBL4564050 0.91 AURKA (0.76) AURKAAURKBINCENPPLK4JAK2
SCHEMBL1501008 0.89 AURKA (0.62) AURKAAURKBINCENPPLK4JAK2
SCHEMBL1501136 0.89 AURKA (0.76) AURKAAURKBINCENPPLK4JAK2
SCHEMBL1501140 0.89 AURKA (0.76) AURKAAURKBINCENPPLK4JAK2
Trifluoroacetic Acid SCHEMBL1501423 0.89 AURKA (0.76) AURKAAURKBINCENPPLK4JAK2

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-2062887-B1 AMINOPYRIDINE DERIVATIVE HAVING AURORA A-SELECTIVE INHIBITORY ACTIVITY MSD KK (JP) 2012-07-04 EP disclosed
US-7915263-B2 Aurora kinase inhibitors such as trans-4-(3-chloro-2-fluorophenoxy)-1-((6-(1,3-thiazol-2-ylamino)pyridin-2-yl)methyl)cyclohexanecarboxylic acid; antitumor agents; combination therapy with other drugs and biodrugs such as paclitaxel or docetaxel BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-29 US disclosed
US-20100016335-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION IWASAWA YOSHIKAZU 2010-01-21 US disclosed
EP-2061782-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-27 EP disclosed
EP-2062887-A1 NOVEL AMINOPYRIDINE DERIVATIVE HAVING AURORA A-SELECTIVE INHIBITORY ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-27 EP disclosed
WO-2008026768-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD (JP) 2008-03-06 WO disclosed
US-20080058347-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2008-03-06 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 (2 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-20100016335-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885INCENP 103/4885
US-20080058347-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885INCENP 103/4885

“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.