SCHEMBL1370565

SCHEMBL1370565

CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3ccc4cc[nH]c4c3)nc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.36
JAK2 O60674 4/20 0.34
JAK3 P52333 4/20 0.34
JAK1 P23458 3/20 0.34
CHEK2 O96017 6/20 0.33
MET P08581 6/20 0.33
MAOA P21397 1/20 0.33
SCN9A Q15858 1/20 0.33
DGAT1 O75907 2/20 0.32
FLT1 P17948 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL1371432 0.95 KDR (0.36) PDPK1JAK2JAK3JAK1MAOA
SCHEMBL1370563 0.90 JAK3 (0.44) JAK2JAK3JAK1CHEK2MET
SCHEMBL1370812 0.86 MTNR1A (0.34) DGAT1MAPT
SCHEMBL1369633 0.85 JAK2 (0.39) JAK2JAK3JAK1DGAT1MAPT
SCHEMBL1371430 0.85 JAK3 (0.42) JAK2JAK3JAK1DGAT1
SCHEMBL1368958 0.82 JAK2 (0.46) JAK2JAK3JAK1SCN9ADGAT1
Hydrochloric Acid SCHEMBL1370232 0.82 ACHE (0.46) JAK2JAK3JAK1
SCHEMBL1371285 0.80 DGAT1 (0.40) DGAT1MAPT
SCHEMBL1371441 0.80 JAK2 (0.40) JAK2JAK3JAK1
SCHEMBL1370965 0.78 JAK3 (0.54) JAK2JAK3JAK1MAOA

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 PDPK1 145/4885JAK2 3/4885JAK3 7/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 PDPK1 145/4885JAK2 3/4885JAK3 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.