SCHEMBL2276394

SCHEMBL2276394

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.49
SYK P43405 5/20 0.48
KCNH2 Q12809 1/20 0.48
CYP2C9 P11712 1/20 0.45
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 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
SCHEMBL2349552 0.96 JAK3 (0.46) JAK3SYKKCNH2CYP2C9JAK2
SCHEMBL2280584 0.94 JAK3 (0.46) JAK3SYKKCNH2CYP2C9JAK2
SCHEMBL2275915 0.93 JAK3 (0.45) JAK3SYKKCNH2CYP2C9JAK2
SCHEMBL2276253 0.92 JAK3 (0.45) JAK3SYKKCNH2CYP2C9
SCHEMBL2278026 0.91 JAK3 (0.44) JAK3SYKKCNH2CYP2C9JAK2
SCHEMBL2278229 0.91 SYK (0.47) JAK3SYKKCNH2CYP2C9JAK2
SCHEMBL2278709 0.91 JAK3 (0.55) JAK3SYKKCNH2CYP2C9
SCHEMBL2276249 0.91 JAK3 (0.49) JAK3SYKKCNH2CYP2C9JAK2
SCHEMBL2273689 0.91 JAK3 (0.44) JAK3SYKKCNH2CYP2C9
SCHEMBL2281125 0.90 JAK3 (0.54) JAK3SYKKCNH2CYP2C9

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 10 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
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 7/4885SYK 1/4885KCNH2 1799/4885

“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.