SCHEMBL2280388

SCHEMBL2280388

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCC(c5cccnc5)C4)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.48
MAPK1 P28482 2/20 0.43
AOC3 Q16853 1/20 0.37
SYK P43405 4/20 0.37
PRKCI P41743 1/20 0.36
PRKCA P17252 1/20 0.35
PRKCQ Q04759 1/20 0.35
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
LRRK2 Q5S007 1/20 0.34
NAMPT P43490 1/20 0.34
PIM1 P11309 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL2280923 0.92 JAK3 (0.49) JAK3MAPK1SYKPRKCIJAK2
SCHEMBL2280601 0.87 JAK3 (0.49) JAK3MAPK1SYKPRKCAPRKCQ
SCHEMBL2279056 0.85 JAK3 (0.53) JAK3MAPK1SYKJAK2JAK1
SCHEMBL2276067 0.85 JAK3 (0.53) JAK3MAPK1SYKJAK2JAK1
SCHEMBL2279622 0.84 JAK3 (0.55) JAK3MAPK1SYKPRKCIJAK2
SCHEMBL1892513 0.83 JAK3 (0.51) JAK3SYKJAK2JAK1
SCHEMBL2275510 0.83 JAK3 (0.51) JAK3SYKPRKCILRRK2CYP2D6
SCHEMBL2277250 0.83 JAK3 (0.53) JAK3JAK2
SCHEMBL2275078 0.83 JAK3 (0.51) JAK3SYKPRKCILRRK2CYP2D6
SCHEMBL2275084 0.83 JAK3 (0.51) JAK3SYKPRKCILRRK2CYP2D6

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
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-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 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 JAK3 7/4885MAPK1 386/4885AOC3 3269/4885

“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.