SCHEMBL2280581

SCHEMBL2280581

COc1ccc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c3n2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.61
CYP2C9 P11712 1/20 0.52
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
AAK1 Q2M2I8 2/20 0.43
MAP4K1 Q92918 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 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
SCHEMBL2275800 0.86 SYK (0.66) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2279702 0.85 SYK (0.69) SYKCYP2C9CYP2D6
SCHEMBL2279046 0.80 SYK (0.69) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2278062 0.79 SYK (0.66) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2275238 0.79 SYK (0.74) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277395 0.78 SYK (0.65) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2279041 0.78 SYK (0.83) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2276549 0.78 SYK (0.69) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2282760 0.78 SYK (0.69) SYKCYP2C9AAK1MAP4K1
SCHEMBL2280618 0.77 SYK (0.84) 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 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
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
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 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.