SCHEMBL12372516

SCHEMBL12372516

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.38
JAK3 P52333 2/20 0.34
TRPV3 Q8NET8 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
MAPT P10636 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
SCHEMBL2279371 0.90 DGAT1 (0.39) DGAT1JAK3
SCHEMBL2275635 0.90 DGAT1 (0.38) DGAT1JAK3BRD4CREBBPMAPT
SCHEMBL1894283 0.90 DGAT1 (0.38) DGAT1JAK3BRD4CREBBPMAPT
SCHEMBL12372355 0.89 DGAT1 (0.42) DGAT1MAPT
SCHEMBL2281749 0.88 JAK3 (0.39) DGAT1JAK3BRD4CREBBPMAPT
SCHEMBL1635282 0.86 DGAT1 (0.36) DGAT1JAK3
SCHEMBL2277464 0.86 DGAT1 (0.37) DGAT1JAK3BRD4CREBBP
SCHEMBL1634549 0.85 ATR (0.37) DGAT1
SCHEMBL2273028 0.85 DGAT1 (0.36) DGAT1JAK3BRD4CREBBP
SCHEMBL2278535 0.84 DGAT1 (0.34) DGAT1BRD4CREBBP

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
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 DGAT1 4740/4885JAK3 7/4885TRPV3 4052/4885

“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.