SCHEMBL2273028

SCHEMBL2273028

CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cccc(N4CC(O)C4)c3)nc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.36
KLKB1 P03952 1/20 0.34
JAK3 P52333 2/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL2273709 0.93 DGAT1 (0.40) DGAT1KLKB1JAK3BRD4CREBBP
SCHEMBL2277650 0.93 KLKB1 (0.41) DGAT1KLKB1JAK3BRD4CREBBP
SCHEMBL2277648 0.93 KLKB1 (0.41) DGAT1KLKB1JAK3BRD4CREBBP
SCHEMBL2277340 0.92 DGAT1 (0.36) DGAT1KLKB1JAK3BRD4CREBBP
SCHEMBL2275384 0.92 KLKB1 (0.35) DGAT1KLKB1JAK3BRD4CREBBP
SCHEMBL2275387 0.92 KLKB1 (0.35) DGAT1KLKB1JAK3BRD4CREBBP
SCHEMBL2277471 0.91 DGAT1 (0.35) DGAT1KLKB1JAK3BRD4CREBBP
SCHEMBL2277476 0.91 DGAT1 (0.35) DGAT1KLKB1JAK3BRD4CREBBP
SCHEMBL2277480 0.91 DGAT1 (0.35) DGAT1KLKB1JAK3BRD4CREBBP
SCHEMBL2279894 0.90 DGAT1 (0.34) DGAT1KLKB1JAK3BRD4CREBBP

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 7 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
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
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 4740/4885KLKB1 1991/4885JAK3 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.