Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3636873

NC(=O)c1ncc[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TBXAS1 P24557 2/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32

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
SCHEMBL34651 0.87
SCHEMBL9786602 0.85
Hydrochloric Acid SCHEMBL4023730 0.85 NPC1 (0.47) NPC1RAB9AKMT2ACSNK1A1TYRO3
Hydrochloric Acid SCHEMBL4244388 0.85
Pyridine SCHEMBL6603891 0.80 CSNK1A1 (0.42) NPC1RAB9AKMT2ACSNK1A1TYRO3
Malonic Acid SCHEMBL27504201 0.80 NPC1 (0.41) NPC1RAB9AKMT2ACSNK1A1TYRO3
Pyridine SCHEMBL9978894 0.80 CSNK1A1 (0.42) NPC1RAB9AKMT2ACSNK1A1TYRO3
Maleic Acid SCHEMBL27580931 0.80 RAB9A (0.41) NPC1RAB9AKMT2ACSNK1A1TYRO3
Formic Acid SCHEMBL25257936 0.79 NPC1 (0.43) NPC1RAB9AKMT2ACSNK1A1TYRO3
Biphenyl SCHEMBL27718930 0.79 CSNK1A1 (0.49) NPC1RAB9AKMT2ACSNK1A1TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 NPC1 4705/4885RAB9A 3181/4885L3MBTL1 4588/4885

“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.