SCHEMBL2273709

SCHEMBL2273709

CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cccc(N4CCC(O)CC4)c3)nc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.40
F10 P00742 1/20 0.34
JAK3 P52333 1/20 0.33
S1PR1 P21453 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCQ Q04759 1/20 0.33
ATR Q13535 1/20 0.33
FLT3 P36888 2/20 0.32
TYRO3 Q06418 2/20 0.32
MERTK Q12866 2/20 0.32
AXL P30530 1/20 0.32
GAS6 Q14393 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
KLKB1 P03952 1/20 0.32
NEK2 P51955 1/20 0.32
PDE5A O76074 1/20 0.32

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
SCHEMBL2273028 0.93 DGAT1 (0.36) DGAT1JAK3ATRFLT3TYRO3
SCHEMBL12372513 0.92 DGAT1 (0.37) DGAT1JAK3S1PR1PRKCAPRKCQ
SCHEMBL2278452 0.91 DGAT1 (0.36) DGAT1JAK3ATRBRD4CREBBP
SCHEMBL2281494 0.91 PRKCI (0.40) DGAT1F10MERTKAXL
SCHEMBL2275384 0.90 KLKB1 (0.35) DGAT1JAK3BRD4CREBBPKLKB1
SCHEMBL2275387 0.90 KLKB1 (0.35) DGAT1JAK3BRD4CREBBPKLKB1
SCHEMBL2278197 0.90 DGAT1 (0.35) DGAT1ATRBRD4CREBBP
SCHEMBL2277648 0.89 KLKB1 (0.41) DGAT1JAK3BRD4CREBBPKLKB1
SCHEMBL2277650 0.89 KLKB1 (0.41) DGAT1JAK3BRD4CREBBPKLKB1
SCHEMBL2272892 0.89 DGAT1 (0.37) DGAT1JAK3KLKB1

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 DGAT1 4740/4885F10 887/4885JAK3 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.