Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4533787

CN(C)c1nc(N)nc2cc(-c3cccs3)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 8/20 0.42
HDAC1 Q13547 7/20 0.42
HDAC3 O15379 6/20 0.42
DHFR P00374 3/20 0.42
ADORA2A P29274 1/20 0.40
DHODH Q02127 1/20 0.40
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRIN2B Q13224 1/20 0.37
BACE1 P56817 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
SCHEMBL4519912 0.90 ADORA2A (0.45) HDAC2HDAC1HDAC3DHFRADORA2A
Trifluoroacetic Acid SCHEMBL4528318 0.83 DHFR (0.44) HDAC2HDAC1HDAC3DHFRADORA2A
Trifluoroacetic Acid SCHEMBL4523782 0.81 CYP2D6 (0.44) DHFRADORA2AEGLN1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4527702 0.80 CYP2D6 (0.51) DHFRDHODHEGLN1KDM4EALDH1A1
SCHEMBL4529864 0.75 DHFR (0.62) DHFRADORA2A
Trifluoroacetic Acid SCHEMBL4710094 0.74 ALDH1A1 (0.36) DHFRADORA2AKDM4EALDH1A1MAPK1
Trifluoroacetic Acid SCHEMBL4519819 0.72 HRH4 (0.43) DHFREGLN1ALDH1A1L3MBTL1
SCHEMBL4533786 0.71 ADORA2A (0.45) HDAC2HDAC1HDAC3DHFRADORA2A
SCHEMBL4524134 0.71 CYP1A2 (0.57) DHFRALDH1A1MAPK1TDP1BACE1
Trifluoroacetic Acid SCHEMBL4517911 0.70 CRHR1 (0.43) DHFREGLN1

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 HDAC2 2515/4885HDAC1 1548/4885HDAC3 2173/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 HDAC2 2515/4885HDAC1 1548/4885HDAC3 2173/4885

“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.