Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4687679

Nc1nc(N)c2c(cc(-c3ccc(Cl)cc3Cl)c3[nH]ccc32)n1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.37
KMO O15229 1/20 0.36
DPP4 P27487 7/20 0.35
DPP7 Q9UHL4 6/20 0.35
GUSB P08236 1/20 0.34
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK1 P28482 2/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
MAPK13 O15264 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33
JAK2 O60674 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
CHEK2 O96017 1/20 0.33
PRKCG P05129 1/20 0.33

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
SCHEMBL4690334 0.90 HSP90AA1 (0.41) DPP4GUSBHSP90AA1HSP90AB1MAP4K4
Trifluoroacetic Acid SCHEMBL5382553 0.89 IKBKB (0.38) DYRK1AGUSBHSP90AA1HSP90AB1JAK2
Trifluoroacetic Acid SCHEMBL4688579 0.86 DHFR (0.39) JAK2KDM4E
Trifluoroacetic Acid SCHEMBL4687931 0.86 DHFR (0.33) DYRK1AKMOMAP4K4C1S
Trifluoroacetic Acid SCHEMBL4693936 0.82 KDM4E (0.34) KDM4E
Trifluoroacetic Acid SCHEMBL4690959 0.81 DHFR (0.41) CDC7
SCHEMBL4691554 0.81 HTR2B (0.43) MAP4K4
Trifluoroacetic Acid SCHEMBL4688959 0.81 DHFR (0.41) HSP90AA1MAP4K4DHODH
Trifluoroacetic Acid SCHEMBL4694100 0.81 GRM2 (0.36) JAK2MAP4K4KDM4EDHODH
Trifluoroacetic Acid SCHEMBL4693974 0.79 DHFR (0.40) DYRK1AMAPK1DYRK3DYRK1BKDM4E

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 DYRK1A 127/4885KMO 1471/4885DPP4 52/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DYRK1A 110/4885KMO 1746/4885DPP4 69/4885

“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.