SCHEMBL2275402

SCHEMBL2275402

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCOCC4)c3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.53
ATR Q13535 1/20 0.50
PRKCA P17252 1/20 0.43
PRKCQ Q04759 1/20 0.43
KIT P10721 1/20 0.42
BRAF P15056 1/20 0.42
JAK2 O60674 3/20 0.40
HDAC1 Q13547 2/20 0.40
CAMK2D Q13557 1/20 0.40
KDM1A O60341 1/20 0.40
POLQ O75417 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
LRRK2 Q5S007 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL2278709 0.91 JAK3 (0.55) JAK3ATRKITCYP2C9SYK
SCHEMBL2278520 0.91 JAK3 (0.55) JAK3ATRCYP2C9SYKKCNH2
SCHEMBL2281125 0.90 JAK3 (0.54) JAK3ATRKITCYP2C9SYK
SCHEMBL2273575 0.90 JAK3 (0.54) JAK3JAK2CAMK2DSYKKCNH2
SCHEMBL2279622 0.89 JAK3 (0.55) JAK3ATRJAK2SYKKCNH2
SCHEMBL2279219 0.88 ATR (0.48) JAK3ATRPRKCAPRKCQKIT
SCHEMBL2280031 0.88 JAK3 (0.52) JAK3
SCHEMBL2279264 0.88 JAK3 (0.52) JAK3ATRJAK2SYKKCNH2
SCHEMBL2274445 0.87 JAK3 (0.54) JAK3ATRPRKCAPRKCQJAK2
SCHEMBL2275259 0.87 JAK3 (0.51) JAK3ATRSTK4STK3SYK

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 14 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
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
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

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 JAK3 7/4885ATR 959/4885PRKCA 291/4885

“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.