Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2278432

COc1cc(-c2cnc3[nH]cc(C(=O)C4CCNC4)c3n2)cc(OC)c1OC.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.57
CYP2C9 P11712 1/20 0.57
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
JAK3 P52333 1/20 0.49
NEK2 P51955 12/20 0.41
MAP3K11 Q16584 3/20 0.41
PLK1 P53350 2/20 0.41
NEK1 Q96PY6 2/20 0.41
PKM P14618 1/20 0.38

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
SCHEMBL2280507 0.94 SYK (0.63) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL12372272 0.85 SYK (0.58) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2342741 0.80 SYK (0.61) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2279539 0.79 SYK (0.62) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277878 0.78 SYK (0.76) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL3394013 0.78 SYK (0.59) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL13689555 0.78 SYK (0.61) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277507 0.77 SYK (0.68) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL27822553 0.77 SYK (0.55) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2275925 0.77 SYK (0.65) SYKCYP2C9JAK2JAK1JAK3

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
CN-101952295-B Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2013-11-20 CN disclosed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 SYK 1/4885CYP2C9 3511/4885JAK2 4/4885

“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.