SCHEMBL2280184

SCHEMBL2280184

COc1cc(-c2cnc3c(n2)c(C#Cc2ccccc2)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.43
JAK1 P23458 4/20 0.43
TYK2 P29597 4/20 0.43
JAK3 P52333 4/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
MAP3K11 Q16584 1/20 0.40
AAK1 Q2M2I8 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
POLB P06746 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
ACVR1 Q04771 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FYN P06241 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NEK2 P51955 2/20 0.35

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
SCHEMBL12400208 0.85 JAK2 (0.49) JAK2JAK1TYK2JAK3MEN1
SCHEMBL2275403 0.84 JAK2 (0.40) JAK2JAK1TYK2JAK3MEN1
SCHEMBL2279727 0.82 JAK2 (0.44) JAK2JAK1TYK2JAK3MEN1
SCHEMBL667102 0.82 ATR (0.41) L3MBTL1
SCHEMBL2275051 0.79 JAK2 (0.40) JAK2JAK1TYK2JAK3MEN1
SCHEMBL2273030 0.78 HPGD (0.43) MEN1KMT2AMAPTMAP3K11AAK1
SCHEMBL12402539 0.77 JAK2 (0.40) JAK2JAK1TYK2JAK3MEN1
SCHEMBL2278743 0.73 MAPT (0.41) MEN1KMT2AMAPTMAP3K11ALDH1A1
SCHEMBL3396114 0.73 JAK2 (0.37) JAK2JAK1TYK2JAK3MEN1
SCHEMBL2278821 0.73 JAK2 (0.38) JAK2JAK1TYK2JAK3MAP3K11

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 7 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 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
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 JAK2 4/4885JAK1 5/4885TYK2 3/4885

“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.