Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4533807

CNc1nc(N)nc2cc(-c3cccc(NC(C)=O)c3)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.47
DHFR P00374 1/20 0.47
HSD17B1 P14061 2/20 0.47
HSD17B2 P37059 2/20 0.47
LIMK1 P53667 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SYK P43405 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAPK10 P53779 1/20 0.42
NQO2 P16083 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4527555 0.93 DHFR (0.54) MAP4K4DHFRHSD17B1HSD17B2LIMK1
Trifluoroacetic Acid SCHEMBL4528549 0.87 DHFR (0.50) MAP4K4DHFRHRH4TP53
Trifluoroacetic Acid SCHEMBL4525618 0.87 DHFR (0.52) MAP4K4DHFRHRH4TP53
Trifluoroacetic Acid SCHEMBL4533398 0.87 CYP1A2 (0.56) DHFRHSD17B1HSD17B2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4526781 0.83 DHFR (0.43) MAP4K4DHFRHRH4
Trifluoroacetic Acid SCHEMBL4527903 0.83 DHFR (0.43) MAP4K4DHFRLIMK1BACE1
Trifluoroacetic Acid SCHEMBL4521203 0.83 DHFR (0.43) MAP4K4DHFRABCG2KDM4ESYK
SCHEMBL4533818 0.83 MAP4K4 (0.43) MAP4K4DHFRMEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL4526540 0.82 PTPN1 (0.48) DHFRTP53
Trifluoroacetic Acid SCHEMBL4524000 0.82 CYP1A2 (0.52) MAP4K4DHFRABCG2MEN1KMT2A

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-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 MAP4K4 639/4885DHFR 2071/4885HSD17B1 1111/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 MAP4K4 639/4885DHFR 2071/4885HSD17B1 1111/4885

“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.