SCHEMBL2280574

SCHEMBL2280574

CC(C)CC(=O)c1c[nH]c2ncc(-c3ccc(C(N)=O)cc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.50
SYK P43405 2/20 0.49
CYP2C9 P11712 1/20 0.44
JAK3 P52333 6/20 0.41
RIPK1 Q13546 1/20 0.40
MTOR P42345 1/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
MAP3K11 Q16584 1/20 0.38
PRKDC P78527 1/20 0.38
ATM Q13315 1/20 0.38
ATR Q13535 1/20 0.38
LDHB P07195 2/20 0.38
LDHA P00338 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
SCHEMBL2275777 0.89 LDHB (0.50) MAPK1SYKCYP2C9JAK3JAK2
SCHEMBL2274537 0.86 SYK (0.48) MAPK1SYKCYP2C9JAK3JAK2
SCHEMBL2280589 0.83 SYK (0.71) MAPK1SYKCYP2C9JAK3JAK2
SCHEMBL2343991 0.81 JAK3 (0.59) MAPK1SYKCYP2C9JAK3RIPK1
SCHEMBL2282266 0.80 CDK8 (0.47) MAPK1SYKCYP2C9JAK3JAK2
SCHEMBL2282983 0.80 SYK (0.41) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL1635639 0.79 SYK (0.46) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL1634965 0.79 SYK (0.46) MAPK1SYKCYP2C9JAK3JAK2
SCHEMBL2279424 0.79 JAK3 (0.51) MAPK1SYKCYP2C9JAK3JAK2
SCHEMBL2278382 0.77 SYK (0.74) SYKCYP2C9JAK3JAK2JAK1

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 MAPK1 386/4885SYK 1/4885CYP2C9 3511/4885

“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.