SCHEMBL2277129

SCHEMBL2277129

CC1(C)CCN(c2cc(OCCCS(C)(=O)=O)cc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.44
KCNH2 Q12809 3/20 0.43
CYP2D6 P10635 1/20 0.43
JAK3 P52333 6/20 0.39
CYP2C9 P11712 2/20 0.36
CYP11B2 P19099 1/20 0.35

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
SCHEMBL2282360 0.90 SYK (0.44) SYKKCNH2CYP2D6JAK3CYP2C9
SCHEMBL2273339 0.88 JAK3 (0.43) SYKKCNH2CYP2D6JAK3CYP2C9
SCHEMBL2343883 0.88 JAK3 (0.39) SYKKCNH2JAK3CYP2C9
SCHEMBL2275837 0.86 JAK3 (0.42) SYKKCNH2CYP2D6JAK3CYP2C9
SCHEMBL2275753 0.86 SYK (0.41) SYKKCNH2CYP2D6JAK3CYP2C9
SCHEMBL2283002 0.84 SYK (0.41) SYKKCNH2CYP2D6JAK3CYP2C9
SCHEMBL2348119 0.82 JAK3 (0.43) SYKKCNH2CYP2D6JAK3CYP2C9
SCHEMBL2282175 0.82 JAK3 (0.51) SYKKCNH2CYP2D6JAK3CYP2C9
SCHEMBL2280400 0.81 JAK3 (0.42) SYKKCNH2CYP2D6JAK3CYP2C9
SCHEMBL2278269 0.81 JAK3 (0.43) SYKKCNH2CYP2D6JAK3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US claimed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
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
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US 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 1/4885KCNH2 1799/4885CYP2D6 2287/4885

“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.