SCHEMBL2275301

SCHEMBL2275301

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCN(CCO)CC4)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.50
SYK P43405 4/20 0.42
CYP2D6 P10635 1/20 0.42
JAK2 O60674 1/20 0.40
MAP4K1 Q92918 3/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
PIM1 P11309 1/20 0.38
RAD52 P43351 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
EGFR P00533 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
SCHEMBL2277265 0.90 JAK3 (0.50) JAK3SYKCYP2D6MAP4K1ROCK2
SCHEMBL2276118 0.90 JAK3 (0.50) JAK3SYKCYP2D6JAK2MAP4K1
SCHEMBL2278520 0.88 JAK3 (0.55) JAK3SYKCYP2D6
SCHEMBL2278709 0.88 JAK3 (0.55) JAK3SYKCYP2D6
SCHEMBL2275848 0.88 JAK3 (0.50) JAK3SYKCYP2D6MAP4K1
SCHEMBL2281125 0.87 JAK3 (0.54) JAK3SYKCYP2D6
SCHEMBL2280031 0.86 JAK3 (0.52) JAK3CYP2D6
SCHEMBL2273575 0.86 JAK3 (0.54) JAK3SYKJAK2HTR1A
SCHEMBL2275402 0.85 JAK3 (0.53) JAK3SYKJAK2
SCHEMBL2279622 0.85 JAK3 (0.55) JAK3SYKCYP2D6JAK2

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
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
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 JAK3 7/4885SYK 1/4885CYP2D6 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.