SCHEMBL2275295

SCHEMBL2275295

CCOc1cccc(-c2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.57
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
JAK2 O60674 4/20 0.43
SYK P43405 3/20 0.43
JAK1 P23458 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
DHODH Q02127 2/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2277782 0.92 JAK3 (0.55) JAK3GAAMAPTJAK2SYK
SCHEMBL2280186 0.89 JAK3 (0.58) JAK3MAPTJAK2SYKJAK1
SCHEMBL2276164 0.89 JAK3 (0.54) JAK3JAK2SYKJAK1CYP2D6
SCHEMBL2275732 0.88 JAK3 (0.54) JAK3JAK2SYKJAK1CYP2D6
SCHEMBL2273646 0.88 JAK3 (0.57) JAK3JAK2SYKJAK1CYP2D6
SCHEMBL1894044 0.86 JAK3 (0.51) JAK3GAAMAPTJAK2SYK
SCHEMBL1634076 0.85 JAK3 (0.58) JAK3JAK2SYKJAK1CYP2D6
SCHEMBL12372550 0.85 JAK3 (0.54) JAK3JAK2SYKCYP2D6CYP2C9
SCHEMBL2279333 0.84 JAK3 (0.61) JAK3SYKCYP2D6CYP2C9MAPK1
SCHEMBL2280877 0.84 JAK3 (0.61) JAK3SYKCYP2D6CYP2C9MAPK1

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 15 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-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
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
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 7/4885GAA 3155/4885MAPT 3747/4885

“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.