Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2991229

O=C(O)C(F)(F)F.O=C(c1cc(Cc2n[nH]c(=O)n3c(Cl)c(Cl)nc23)ccc1F)N1CCCN(c2ncccn2)CC1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.58
MAP4K4 O95819 1/20 0.58
CLK2 P49760 1/20 0.58
MAP4K2 Q12851 1/20 0.58
AURKB Q96GD4 1/20 0.58
SLK Q9H2G2 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
IRAK4 Q9NWZ3 1/20 0.58
MAP4K5 Q9Y4K4 1/20 0.58

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 SCHEMBL2975872 0.86 PARP1 (0.51) PARP1MAP4K4CLK2MAP4K2AURKB
Trifluoroacetic Acid SCHEMBL2982282 0.85 PARP1 (0.57) PARP1
Trifluoroacetic Acid SCHEMBL2986276 0.83 PARP1 (0.52) PARP1
Trifluoroacetic Acid SCHEMBL2991255 0.83 PARP1 (0.54) PARP1
Trifluoroacetic Acid SCHEMBL2978416 0.82 PARP1 (0.59) PARP1
Trifluoroacetic Acid SCHEMBL2980159 0.81 PARP1 (0.64) PARP1
Trifluoroacetic Acid SCHEMBL2988502 0.81 PARP1 (0.61) PARP1
Trifluoroacetic Acid SCHEMBL2986269 0.80 PARP1 (0.45) PARP1
Trifluoroacetic Acid SCHEMBL2983608 0.80 PARP1 (0.44) PARP1
Hydrochloric Acid SCHEMBL2980577 0.80 PARP1 (0.63) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173895-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2010-07-08 US disclosed
EP-2102212-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-09-23 EP disclosed
WO-2008056187-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-05-15 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 (1 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-20100173895-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) PARP1, PARP2, PARP15 PARP1 1/4885MAP4K4 416/4885CLK2 486/4885

“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.