SCHEMBL2280400

SCHEMBL2280400

CN1CCC(Oc2cc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)cc(N3CCC(C)(C)C3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.42
SYK P43405 12/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 2/20 0.37
KCNH2 Q12809 1/20 0.37
MAP4K1 Q92918 2/20 0.36

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
SCHEMBL2277333 0.88 JAK3 (0.43) JAK3SYKCYP2C9CYP2D6KCNH2
SCHEMBL2281314 0.84 JAK3 (0.42) JAK3SYKCYP2C9CYP2D6KCNH2
SCHEMBL2275753 0.83 SYK (0.41) JAK3SYKCYP2C9CYP2D6KCNH2
SCHEMBL2273339 0.83 JAK3 (0.43) JAK3SYKCYP2C9CYP2D6KCNH2
SCHEMBL2348119 0.83 JAK3 (0.43) JAK3SYKCYP2C9CYP2D6KCNH2
SCHEMBL2282175 0.82 JAK3 (0.51) JAK3SYKCYP2C9CYP2D6KCNH2
SCHEMBL2343883 0.82 JAK3 (0.39) JAK3SYKCYP2C9KCNH2MAP4K1
SCHEMBL2283002 0.82 SYK (0.41) JAK3SYKCYP2C9CYP2D6KCNH2
SCHEMBL2279324 0.82 JAK3 (0.42) JAK3SYKCYP2C9CYP2D6KCNH2
SCHEMBL2277129 0.81 SYK (0.44) JAK3SYKCYP2C9CYP2D6KCNH2

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
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP 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 1/4885CYP2C9 3511/4885

“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.