SCHEMBL2277244

SCHEMBL2277244

CCCNC(=O)c1c[nH]c2ncc(-c3cccc(OC)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.51
CYP2C9 P11712 1/20 0.50
ROCK2 O75116 4/20 0.47
ROCK1 Q13464 3/20 0.47
JAK3 P52333 5/20 0.46
JAK2 O60674 4/20 0.46
JAK1 P23458 4/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
PRKDC P78527 1/20 0.46
ATR Q13535 1/20 0.46
MAPT P10636 2/20 0.44
NEK1 Q96PY6 1/20 0.43
TYRO3 Q06418 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
PLK1 P53350 1/20 0.43

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
SCHEMBL2280600 0.91 SYK (0.45) SYKCYP2C9ROCK2ROCK1JAK3
SCHEMBL1370461 0.86 SYK (0.47) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2282227 0.86 SYK (0.46) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL1370770 0.85 JAK3 (0.62) SYKROCK2ROCK1JAK3JAK2
SCHEMBL2282970 0.85 CDK8 (0.47) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2279046 0.85 SYK (0.69) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2282305 0.85 SYK (0.45) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2277240 0.85 SYK (0.69) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2280573 0.84 SYK (0.49) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2278200 0.84 SYK (0.52) SYKCYP2C9ROCK2ROCK1JAK3

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 8 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-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 3511/4885ROCK2 367/4885

“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.