SCHEMBL2279264

SCHEMBL2279264

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCS(=O)(=O)CC4)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.52
JAK2 O60674 1/20 0.39
PRKCI P41743 1/20 0.39
MAP4K1 Q92918 1/20 0.38
MAPK1 P28482 1/20 0.38
SYK P43405 2/20 0.38
ATR Q13535 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2D6 P10635 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
SCHEMBL2278709 0.91 JAK3 (0.55) JAK3PRKCIMAPK1SYKATR
SCHEMBL2278520 0.91 JAK3 (0.55) JAK3PRKCIMAPK1SYKATR
SCHEMBL2281125 0.90 JAK3 (0.54) JAK3PRKCIMAPK1SYKATR
SCHEMBL2273575 0.89 JAK3 (0.54) JAK3JAK2PRKCISYKKCNH2
SCHEMBL2275402 0.88 JAK3 (0.53) JAK3JAK2SYKATRKCNH2
SCHEMBL2279622 0.88 JAK3 (0.55) JAK3JAK2PRKCIMAPK1SYK
SCHEMBL2279556 0.88 JAK3 (0.44) JAK3JAK2MAP4K1SYKKCNH2
SCHEMBL2280031 0.87 JAK3 (0.52) JAK3PRKCIMAPK1CYP2D6
SCHEMBL2280023 0.86 JAK3 (0.51) JAK3JAK2MAPK1SYKCYP2D6
SCHEMBL12372610 0.86 JAK3 (0.51) JAK3JAK2MAPK1SYKCYP2D6

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 10 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
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US 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-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
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 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 (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 JAK3 7/4885JAK2 4/4885PRKCI 206/4885

“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.