Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4717543

O=C(O)C(F)(F)F.O=C1NCCn2nc(-c3ccnc(-c4cccc([N+](=O)[O-])c4)c3)cc21

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
MAPT P10636 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
PSD A5PKW4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
PIM1 P11309 1/20 0.36
CDK4 P11802 1/20 0.36
CCND3 P30281 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL14188380 0.92 CDC7 (0.55) CDC7SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14188387 0.86 CDC7 (0.47) CDC7SMN1; SMN2MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4717604 0.85 CDC7 (0.46) CDC7SMN1; SMN2MEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL4716136 0.83 CDC7 (0.52) CDC7PIM1
Trifluoroacetic Acid SCHEMBL4997521 0.81 CDC7 (0.55) CDC7PIM1
Trifluoroacetic Acid SCHEMBL4999615 0.81 CDC7 (0.55) CDC7PIM1
Trifluoroacetic Acid SCHEMBL4713069 0.81 CDC7 (0.51) CDC7MEN1KMT2APIM1
Trifluoroacetic Acid SCHEMBL5000129 0.80 CDC7 (0.53) CDC7PIM1
Trifluoroacetic Acid SCHEMBL4996962 0.79 CDC7 (0.47) CDC7PIM1
Trifluoroacetic Acid SCHEMBL4715188 0.79 CDC7 (0.52) CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 EP disclosed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-08-05 US disclosed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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 (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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 CDC7 487/4885KCNQ3 1588/4885KCNQ2 1414/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 CDC7 331/4885KCNQ3 2045/4885KCNQ2 1798/4885

“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.