SCHEMBL1369660

SCHEMBL1369660

C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccc(C(=O)NC4CCOCC4)s3)nc12)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
IRAK4 Q9NWZ3 5/20 0.33
TGFBR1 P36897 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
CYP2C9 P11712 2/20 0.32
MAPK14 Q16539 2/20 0.32
TTK P33981 4/20 0.32
MAPK1 P28482 1/20 0.31
DGAT1 O75907 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL1370835 0.90 DGAT1 (0.35) JAK2JAK1JAK3DGAT1MAPT
SCHEMBL14795127 0.89 DYRK1A (0.37) DYRK1ADYRK1BTGFBR1MAPK14TTK
SCHEMBL1371408 0.87 DGAT1 (0.33) JAK2JAK1JAK3DGAT1MAPT
SCHEMBL1370838 0.87 DGAT1 (0.34) JAK2JAK1JAK3DGAT1KDM4E
SCHEMBL1369228 0.86 DGAT1 (0.35) JAK2JAK1JAK3DGAT1MAPT
SCHEMBL14796992 0.86 DGAT1 (0.34) JAK2JAK1JAK3DGAT1MAPT
SCHEMBL1369830 0.84 ESRRG (0.37) DYRK1ADYRK1BIRAK4DGAT1KDM4E
SCHEMBL1369229 0.83 DGAT1 (0.34) JAK2JAK1JAK3DGAT1MAPT
SCHEMBL1370843 0.81 STIM1 (0.33) DGAT1NPC1MAPTRAB9A
SCHEMBL1368593 0.77 JAK3 (0.57) JAK2JAK1JAK3CYP2C9

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 DYRK1A 215/4885DYRK1B 156/4885IRAK4 13/4885

“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.