SCHEMBL1369460

SCHEMBL1369460

COC[C@H](C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cn(C)nc3C)nc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.39
MAPK1 P28482 2/20 0.38
DGAT1 O75907 4/20 0.34
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
KLK7 P49862 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR3C1 P04150 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MAP3K5 Q99683 2/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
SYK P43405 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
SCHEMBL1371256 0.85 HPGD (0.37) MAPK1DGAT1KDM4EALDH1A1GAA
SCHEMBL29936175 0.82 HCAR2 (0.40) HCAR2DGAT1KDM4EALDH1A1HPGD
SCHEMBL29936388 0.82 HCAR2 (0.40) HCAR2DGAT1KDM4EALDH1A1HPGD
SCHEMBL18210150 0.82 HCAR2 (0.40) HCAR2DGAT1KDM4EALDH1A1HPGD
SCHEMBL18210148 0.82 HCAR2 (0.40) HCAR2DGAT1KDM4EALDH1A1HPGD
SCHEMBL29936386 0.82 HCAR2 (0.40) HCAR2DGAT1KDM4EALDH1A1HPGD
SCHEMBL14751074 0.82 HCAR2 (0.40) HCAR2DGAT1KDM4EALDH1A1HPGD
SCHEMBL14746965 0.80 SYK (0.40) HCAR2DGAT1SYK
SCHEMBL14746977 0.79 SYK (0.54) HCAR2DGAT1HPGDSYK
SCHEMBL14746988 0.79 SYK (0.54) HCAR2DGAT1HPGDSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 HCAR2 1860/4885MAPK1 438/4885DGAT1 4772/4885

“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.