Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4690959

Nc1nc(N)c2c(cc(-c3cccc4ccccc34)c3[nH]ccc32)n1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.41
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DCPS Q96C86 1/20 0.34
REN P00797 1/20 0.34
CDC7 O00311 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
SLC2A1 P11166 2/20 0.33
BTK Q06187 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 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
SCHEMBL4691056 0.89 DHFR (0.48) DHFRDCPSRENSLC2A1
Trifluoroacetic Acid SCHEMBL5382553 0.88 IKBKB (0.38) DHFR
Trifluoroacetic Acid SCHEMBL4688959 0.86 DHFR (0.41) DHFRDCPSADORA2AADORA1SLC2A1
Trifluoroacetic Acid SCHEMBL5389702 0.85 DHFR (0.38) DHFRMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4688811 0.84 DHFR (0.40) DHFRMEN1KMT2AADORA2AADORA1
Trifluoroacetic Acid SCHEMBL4692719 0.83 ADORA2A (0.41) DHFRDCPSADORA2ASLC2A1
Trifluoroacetic Acid SCHEMBL4689849 0.83 DHFR (0.46) DHFRMEN1KMT2AADORA2AADORA1
Trifluoroacetic Acid SCHEMBL4691251 0.83 IKBKB (0.36) DHFRCDC7
Trifluoroacetic Acid SCHEMBL5387603 0.82 DHFR (0.43) DHFRADORA1SLC2A1
Trifluoroacetic Acid SCHEMBL4708184 0.82 ADORA2A (0.38) DHFRMEN1KMT2ACDC7ADORA2A

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 DHFR 289/4885MEN1 2778/4885KMT2A 1614/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885MEN1 3076/4885KMT2A 1707/4885

“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.