Sugi Predict

Sugi Predict / Compounds / SCHEMBL2276559

SCHEMBL2276559

SCHEMBL2276559

C=CCN(CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCCC4)c3)nc12)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.41
▸ ITK Q08881 4/20 0.41
▸ JAK3 P52333 8/20 0.40
▸ SYK P43405 4/20 0.33
▸ ATR Q13535 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2275636 0.83 SYK (0.50) BTKITKJAK3SYKCYP2C9
SCHEMBL12372413 0.81 JAK3 (0.36) BTKITKJAK3SYKJAK2
SCHEMBL2273469 0.81 JAK3 (0.44) JAK3SYKATRKCNH2FFAR4
SCHEMBL2278709 0.78 JAK3 (0.55) JAK3SYKATRKCNH2CYP2C9
SCHEMBL2281125 0.78 JAK3 (0.54) JAK3SYKATRKCNH2CYP2C9
SCHEMBL2278520 0.77 JAK3 (0.55) JAK3SYKATRKCNH2CYP2C9
SCHEMBL2278304 0.76 JAK3 (0.51) BTKITKJAK3SYKATR
SCHEMBL14655483 0.75 ATR (0.44) JAK3SYKATRKCNH2CNR1
SCHEMBL2281146 0.74 JAK3 (0.44) JAK3SYKATRKCNH2FFAR4
SCHEMBL2273872 0.73 SYK (0.58) SYKKCNH2CYP2D6

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 BTK 6/4885ITK 232/4885JAK3 7/4885

“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.