Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6254531

Cn1cnc(-c2cc(-c3ccccc3)nc(N)c2C#N)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.54
ADORA2A P29274 10/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PIM1 P11309 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 4/20 0.50
GLA P06280 2/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADORA2B P29275 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6253365 0.90 ADORA1 (0.66) ADORA1ADORA2AMEN1KMT2APIM1
Trifluoroacetic Acid SCHEMBL6250899 0.85 ADORA1 (0.56) ADORA1ADORA2AMEN1KMT2APIM1
Trifluoroacetic Acid SCHEMBL6249891 0.73 IKBKB (0.60) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL6252583 0.73 ADORA1 (0.69) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31120336 0.72 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL4911494 0.72 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1
Trifluoroacetic Acid SCHEMBL25390718 0.72 SMARCA2 (0.52)
SCHEMBL6250889 0.70 ADORA1 (0.68) ADORA1ADORA2AMEN1KMT2APIM1
Trifluoroacetic Acid SCHEMBL6252953 0.70 IL4 (0.58) ADORA1ADORA2AMEN1KMT2APIM1
Trifluoroacetic Acid SCHEMBL6253670 0.69 ADORA1 (0.67) ADORA1ADORA2AMEN1KMT2APIM1

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
EP-1569645-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS Pharmacia Corporation (US) 2005-09-07 EP disclosed
EP-1569932-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Pharmacia Corporation (US) 2005-09-07 EP disclosed
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION (US) 2004-07-22 US disclosed
WO-2004055015-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 PHARMACIA CORPORATION (US) 2004-07-01 WO disclosed
WO-2004054505-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2004-07-01 WO disclosed
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION 2004-07-01 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-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP2K2, MAP3K2 ADORA1 3401/4885ADORA2A 1929/4885MEN1 2597/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 ADORA1 1798/4885ADORA2A 877/4885MEN1 3282/4885

“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.