SCHEMBL2278217

SCHEMBL2278217

CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cccc(N4CCN(S(C)(=O)=O)CC4)c3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.38
HCK P08631 1/20 0.38
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 2/20 0.37
TTK P33981 3/20 0.35
DGAT1 O75907 6/20 0.35
USP2 O75604 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CHEK1 O14757 1/20 0.32
CDK7 P50613 1/20 0.32
MTOR P42345 1/20 0.32
ATR Q13535 1/20 0.32
MAPT P10636 1/20 0.32
JAK2 O60674 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
SCHEMBL2279837 0.92 DGAT1 (0.39) PIK3R1PIK3CADGAT1ALDH1A1CHEK1
SCHEMBL2281494 0.89 PRKCI (0.40) LCKHCKDGAT1JAK2
SCHEMBL2278452 0.89 DGAT1 (0.36) DGAT1ATRJAK2BRD4
SCHEMBL2273709 0.89 DGAT1 (0.40) DGAT1ATRBRD4
SCHEMBL2275367 0.88 DGAT1 (0.35) LCKHCKDGAT1MAPK1SMN1; SMN2
SCHEMBL2272747 0.88 DGAT1 (0.38) DGAT1JAK2
SCHEMBL2277832 0.88 ADORA2A (0.41) PIK3CAMAPK1ATRMAPTJAK2
SCHEMBL2278197 0.88 DGAT1 (0.35) DGAT1USP2MAPK1CYP2C19SMN1; SMN2
SCHEMBL2277648 0.87 KLKB1 (0.41) DGAT1BRD4
SCHEMBL2277650 0.87 KLKB1 (0.41) DGAT1BRD4

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 5 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 disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP 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 LCK 9/4885HCK 314/4885PIK3R1 69/4885

“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.