Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4969504

COc1cc2ncnc(C(N)C3CCNC3)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
MAPK7 Q13164 7/20 0.39
WHR1 P49842 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
ENPP1 P22413 4/20 0.37
KDR P35968 3/20 0.36
MAPK1 P28482 1/20 0.36
EGFR P00533 2/20 0.36
FGFR1 P11362 2/20 0.36
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
BRAF P15056 2/20 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
Trifluoroacetic Acid SCHEMBL4969262 0.77 IRAK4 (0.53) WHR1EHMT2KDRMAPK1EGFR
Trifluoroacetic Acid SCHEMBL4969508 0.74 EGFR (0.49) EHMT2KDRMAPK1EGFRFGFR1
Trifluoroacetic Acid SCHEMBL4965758 0.74 IRAK4 (0.57) WHR1EHMT2KDRMAPK1EGFR
Trifluoroacetic Acid SCHEMBL30264700 0.72 KIT (0.46) PDE10AMAPK7KDREGFRFGFR1
Trifluoroacetic Acid SCHEMBL29589036 0.71 ACHE (0.52) PDE10AMAPK7WHR1ENPP1MAPK1
SCHEMBL4969267 0.69 MAPK7 (0.42) PDE10AMAPK7EHMT2KDRMAPK1
Trifluoroacetic Acid SCHEMBL5528683 0.69 ENPP1 (0.63) PDE10AMAPK7WHR1ENPP1MAPK1
Trifluoroacetic Acid SCHEMBL30264814 0.69 PDE10A (0.64) PDE10AMAPK7EGFRBRAF
Trifluoroacetic Acid SCHEMBL6902285 0.68 KDR (0.65) KDREGFRFGFR1FLT1FLT4
Trifluoroacetic Acid SCHEMBL5525772 0.67 ENPP1 (0.58) PDE10AENPP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899319-A2 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 EP disclosed
EP-1893206-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
WO-2006135649-A2 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135636-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, CDC42BPG, PRKCQ PDE10A 4119/4885MAPK7 1294/4885WHR1 2769/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 PDE10A 2325/4885MAPK7 766/4885WHR1 4220/4885

“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.