SCHEMBL2275680

SCHEMBL2275680

COc1cc(-c2cnc3[nH]ccc3n2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.64
BRD4 O60885 4/20 0.63
RIPK1 Q13546 1/20 0.54
MAP3K11 Q16584 3/20 0.51
LRRK2 Q5S007 1/20 0.51
ALOX5AP P20292 1/20 0.49
FEN1 P39748 1/20 0.49
CYP2C9 P11712 1/20 0.49
SYK P43405 1/20 0.49

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
SCHEMBL15542823 0.87 MAPK1 (0.70) MAPK1BRD4RIPK1MAP3K11
SCHEMBL28513565 0.80 MAPK1 (0.53) MAPK1BRD4RIPK1
SCHEMBL6852771 0.78 MAPK1 (0.72) MAPK1RIPK1ALOX5APFEN1
SCHEMBL18136855 0.78 MAPK1 (0.64) MAPK1RIPK1ALOX5APFEN1
SCHEMBL720887 0.77 BRD4 (1.00) BRD4RIPK1MAP3K11LRRK2ALOX5AP
SCHEMBL29086750 0.76 MAPK1 (0.52) MAPK1BRD4RIPK1MAP3K11LRRK2
SCHEMBL28513876 0.76 MAPK1 (0.55) MAPK1RIPK1
SCHEMBL29109163 0.75 BRD4 (1.00) BRD4MAP3K11LRRK2
SCHEMBL30663474 0.75 BRD4 (1.00) BRD4MAP3K11LRRK2
SCHEMBL15271249 0.73 MAP3K11 (0.56) BRD4MAP3K11LRRK2CYP2C9SYK

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101952295-B Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2013-11-20 CN disclosed
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
CN-101952295-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2011-01-19 CN 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 386/4885BRD4 546/4885RIPK1 252/4885

“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.