SCHEMBL2277411

SCHEMBL2277411

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(CN4CCC[C@@H]4C(N)=O)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.49
SPHK1 Q9NYA1 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MERTK Q12866 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
POLB P06746 1/20 0.40
GRM2 Q14416 1/20 0.38
SCN9A Q15858 1/20 0.38
SYK P43405 3/20 0.37
KCNH2 Q12809 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL2278523 1.00 JAK3 (0.49) JAK3SPHK1MAOAMAOBMERTK
SCHEMBL2277423 1.00 JAK3 (0.49) JAK3SPHK1MAOAMAOBMERTK
SCHEMBL2273811 0.89 JAK3 (0.51) JAK3POLBSYKKCNH2
SCHEMBL2273819 0.89 JAK3 (0.51) JAK3POLBSYKKCNH2
SCHEMBL2278701 0.89 JAK3 (0.51) JAK3SYKKCNH2CYP2D6
SCHEMBL2346600 0.88 JAK3 (0.48) JAK3SYKKCNH2CYP2D6
SCHEMBL2361457 0.88 JAK3 (0.48) JAK3SYKKCNH2CYP2D6
SCHEMBL2275474 0.88 JAK3 (0.50) JAK3SPHK1PDCD1CD274SYK
SCHEMBL2275297 0.88 JAK3 (0.50) JAK3SPHK1PDCD1CD274SYK
SCHEMBL2275307 0.88 JAK3 (0.50) JAK3SPHK1PDCD1CD274SYK

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 7/4885SPHK1 556/4885MAOA 2916/4885

“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.