Sugi Predict

Sugi Predict / Compounds / SCHEMBL2273469

SCHEMBL2273469

SCHEMBL2273469

CC(C)(Cc1ccccc1)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCCC4)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 6/20 0.44
▸ ATR Q13535 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SYK P43405 5/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PRKCI P41743 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ GRK6 P43250 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
SCHEMBL2278709 0.87 JAK3 (0.55) JAK3ATRSYKKCNH2PRKCI
SCHEMBL2281125 0.86 JAK3 (0.54) JAK3ATRSYKKCNH2PRKCI
SCHEMBL2278520 0.85 JAK3 (0.55) JAK3ATRSYKKCNH2PRKCI
SCHEMBL14655483 0.83 ATR (0.44) JAK3ATRKDM4EMEN1ALDH1A1
SCHEMBL2278304 0.83 JAK3 (0.51) JAK3ATRSYKKCNH2PRKCI
SCHEMBL2281146 0.83 JAK3 (0.44) JAK3ATRSYKKCNH2PRKCI
SCHEMBL2273872 0.82 SYK (0.58) SYKKCNH2CYP2D6
SCHEMBL2276559 0.81 BTK (0.41) JAK3ATRPOLBMAPTSYK
SCHEMBL3396602 0.80 PRKCI (0.39) JAK3ATRSYKKCNH2PRKCI
SCHEMBL2273575 0.80 JAK3 (0.54) JAK3SYKKCNH2PRKCIJAK2

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 7/4885ATR 959/4885KDM4E 581/4885

“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.