Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6256909

N#Cc1c(-c2cnc[nH]2)cc(-c2cccc(O)c2)nc1N.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.48
MEN1 O00255 1/20 0.48
PIM1 P11309 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 7/20 0.47
GAA P10253 3/20 0.47
GLA P06280 3/20 0.47
ADORA2A P29274 8/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
IKBKB O14920 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ADORA2B P29275 1/20 0.42

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
SCHEMBL6257122 0.91 ADORA1 (0.54) ADORA1MEN1PIM1KMT2AL3MBTL1
Trifluoroacetic Acid SCHEMBL6251540 0.90 ADORA1 (0.56) ADORA1MEN1PIM1KMT2AL3MBTL1
SCHEMBL6251698 0.83 KDM4E (0.67) ADORA1MEN1PIM1KMT2AL3MBTL1
SCHEMBL6256906 0.83 KDM4E (0.52) ADORA1MEN1PIM1KMT2AL3MBTL1
Trifluoroacetic Acid SCHEMBL6249884 0.82 ADORA1 (0.57) ADORA1MEN1PIM1KMT2AKDM4E
SCHEMBL6252444 0.80 ADORA1 (0.63) ADORA1MEN1PIM1KMT2AL3MBTL1
SCHEMBL6250856 0.79 IDO1 (0.56) ADORA1MEN1PIM1KMT2AL3MBTL1
SCHEMBL6251537 0.78 MEN1 (0.47) ADORA1MEN1PIM1KMT2AL3MBTL1
SCHEMBL6250836 0.78 IKBKB (0.55) ADORA1MEN1PIM1KMT2AL3MBTL1
SCHEMBL6253684 0.74 ADORA1 (0.62) ADORA1MEN1PIM1KMT2AL3MBTL1

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 3401/4885MEN1 2597/4885PIM1 656/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 ADORA1 1798/4885MEN1 3282/4885PIM1 779/4885

“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.