Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4688959

Nc1nc(N)c2c(cc(-c3ccc(-c4ccccc4)cc3)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 11)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.41
SLC2A1 P11166 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
HSP90AA1 P07900 1/20 0.33
DHODH Q02127 1/20 0.33
MAP4K4 O95819 1/20 0.33
DCPS Q96C86 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
Trifluoroacetic Acid SCHEMBL4694100 0.92 GRM2 (0.36) DHFRADORA2ADHODHMAP4K4
Trifluoroacetic Acid SCHEMBL5389702 0.91 DHFR (0.38) DHFR
SCHEMBL4691286 0.90 DHFR (0.49) DHFRSLC2A1ADORA2AMAP4K4DCPS
Trifluoroacetic Acid SCHEMBL4688811 0.90 DHFR (0.40) DHFRSLC2A1ADORA3ADORA2AADORA1
Trifluoroacetic Acid SCHEMBL4692719 0.89 ADORA2A (0.41) DHFRSLC2A1ADORA2ACHUKMAP4K4
Trifluoroacetic Acid SCHEMBL4693582 0.89 F2R (0.36) DHFRIKBKBDHODH
Trifluoroacetic Acid SCHEMBL4693587 0.88 F2R (0.37) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL5387603 0.88 DHFR (0.43) DHFRSLC2A1ADORA1
Trifluoroacetic Acid SCHEMBL4687931 0.87 DHFR (0.33) DHFRMAP4K4
Trifluoroacetic Acid SCHEMBL4690959 0.86 DHFR (0.41) DHFRSLC2A1ADORA2AADORA1DCPS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 289/4885SLC2A1 271/4885ADORA3 2832/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885SLC2A1 298/4885ADORA3 2940/4885

“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.