SCHEMBL1369633

SCHEMBL1369633

CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3ccccc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
MAPT P10636 1/20 0.37
DGAT1 O75907 5/20 0.36
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL1696870 0.89 DGAT1 (0.40) JAK2JAK1JAK3DGAT1
SCHEMBL1369630 0.89 JAK3 (0.52) JAK2JAK1JAK3DGAT1HCAR2
SCHEMBL1353887 0.89 JAK2 (0.39) JAK2JAK1JAK3MAPTDGAT1
SCHEMBL1368958 0.88 JAK2 (0.46) JAK2JAK1JAK3DGAT1ADORA2A
SCHEMBL1351068 0.88 DGAT1 (0.40) JAK2JAK1JAK3MAPTDGAT1
SCHEMBL1371285 0.87 DGAT1 (0.40) MAPTDGAT1
SCHEMBL1353886 0.86 CNR2 (0.43) JAK2JAK1JAK3
SCHEMBL1370812 0.85 MTNR1A (0.34) MAPTDGAT1
SCHEMBL1370565 0.85 PDPK1 (0.36) JAK2JAK1JAK3MAPTDGAT1
SCHEMBL1371432 0.85 KDR (0.36) JAK2JAK1JAK3DGAT1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US 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 (2 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 JAK2 3/4885JAK1 5/4885JAK3 7/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 JAK2 3/4885JAK1 5/4885JAK3 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.