SCHEMBL2280600

SCHEMBL2280600

CCCNC(=O)c1c[nH]c2ncc(-c3cccc(OCc4ccc(OC)cc4)c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.45
CYP2C9 P11712 1/20 0.44
SMPD1 P17405 1/20 0.44
JAK3 P52333 3/20 0.43
JAK2 O60674 2/20 0.43
JAK1 P23458 1/20 0.43
MAPT P10636 7/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
THRB P10828 1/20 0.42
ROCK2 O75116 4/20 0.42
ROCK1 Q13464 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.41
CYP4F2 P78329 1/20 0.41

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
SCHEMBL2277244 0.91 SYK (0.51) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2280597 0.88 SYK (0.59) SYKCYP2C9SMPD1JAK3JAK2
SCHEMBL1894044 0.85 JAK3 (0.51) SYKCYP2C9SMPD1JAK3JAK2
SCHEMBL13689464 0.84 SMPD1 (0.45) SYKCYP2C9SMPD1JAK3JAK2
SCHEMBL2282305 0.81 SYK (0.45) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL1370461 0.80 SYK (0.47) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2282227 0.80 SYK (0.46) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2282970 0.79 CDK8 (0.47) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2279046 0.79 SYK (0.69) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2280573 0.78 SYK (0.49) 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 10 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
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
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 SYK 1/4885CYP2C9 3511/4885SMPD1 2414/4885

“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.