Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4694100

Nc1nc(N)c2c(cc(-c3ccc(F)cc3)c3[nH]ccc32)n1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.36
ADORA2A P29274 1/20 0.35
JAK2 O60674 1/20 0.35
MAP4K4 O95819 1/20 0.34
PIK3CA P42336 1/20 0.34
DHFR P00374 8/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.32
DHODH Q02127 1/20 0.32

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 SCHEMBL4688959 0.92 DHFR (0.41) ADORA2AMAP4K4DHFRDHODH
SCHEMBL4690134 0.90 DHFR (0.39) ADORA2AMAP4K4DHFR
Trifluoroacetic Acid SCHEMBL4692719 0.89 ADORA2A (0.41) ADORA2AMAP4K4DHFR
Trifluoroacetic Acid SCHEMBL4693582 0.89 F2R (0.36) DHFRDHODH
Trifluoroacetic Acid SCHEMBL4693587 0.88 F2R (0.37) DHFR
Trifluoroacetic Acid SCHEMBL5389702 0.87 DHFR (0.38) DHFRKDM4EMAPT
Trifluoroacetic Acid SCHEMBL4687931 0.87 DHFR (0.33) MAP4K4DHFR
Trifluoroacetic Acid SCHEMBL4688811 0.86 DHFR (0.40) ADORA2APIK3CADHFR
Trifluoroacetic Acid SCHEMBL5387603 0.84 DHFR (0.43) DHFR
SCHEMBL4709043 0.82 DHFR (0.41) JAK2DHFR

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
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US claimed
US-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-25 US claimed
EP-1628979-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-11-22 US disclosed
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US disclosed
US-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-25 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-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PPP5C, PTP4A2 GRM2 1533/4885ADORA2A 2090/4885JAK2 73/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C GRM2 1680/4885ADORA2A 1770/4885JAK2 58/4885

“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.