SCHEMBL2274445

SCHEMBL2274445

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCC(N)CC4)c3)nc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.54
PRKCA P17252 3/20 0.46
PRKCQ Q04759 3/20 0.46
VCP P55072 1/20 0.40
PRKCI P41743 1/20 0.40
ATR Q13535 1/20 0.39
GSK3B P49841 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
PIM1 P11309 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL2279622 0.93 JAK3 (0.55) JAK3PRKCIATRCARM1PRMT6
SCHEMBL2275688 0.91 JAK3 (0.53) JAK3PRKCI
SCHEMBL2278520 0.90 JAK3 (0.55) JAK3PRKCIATR
SCHEMBL2278709 0.90 JAK3 (0.55) JAK3PRKCIATR
SCHEMBL2281125 0.89 JAK3 (0.54) JAK3PRKCIATR
SCHEMBL2276067 0.88 JAK3 (0.53) JAK3JAK2JAK1
SCHEMBL2279056 0.88 JAK3 (0.53) JAK3ATRJAK2JAK1
SCHEMBL2273575 0.88 JAK3 (0.54) JAK3PRKCIJAK2
SCHEMBL2275402 0.87 JAK3 (0.53) JAK3PRKCAPRKCQATRJAK2
SCHEMBL2279286 0.87 JAK3 (0.51) JAK3PRKCQPIM2PIM1

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 11 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
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US 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-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 7/4885PRKCA 291/4885PRKCQ 118/4885

“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.