SCHEMBL12372355

SCHEMBL12372355

CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccccc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.42
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
KLKB1 P03952 1/20 0.33

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) DGAT1MAPK1
SCHEMBL12372516 0.89 DGAT1 (0.38) DGAT1MAPT
SCHEMBL1894283 0.89 DGAT1 (0.38) DGAT1MAPT
SCHEMBL2275635 0.89 DGAT1 (0.38) DGAT1MAPTKLKB1
SCHEMBL1635721 0.89 DGAT1 (0.37) DGAT1KDM4EALDH1A1MAPT
SCHEMBL2281749 0.88 JAK3 (0.39) DGAT1MAPT
SCHEMBL2277464 0.86 DGAT1 (0.37) DGAT1KDM4EALDH1A1
SCHEMBL1635282 0.86 DGAT1 (0.36) DGAT1
SCHEMBL2276252 0.85 DGAT1 (0.39) DGAT1
SCHEMBL2344237 0.85 DGAT1 (0.38) DGAT1KDM4EALDH1A1MAPK1L3MBTL1

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 4 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-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
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 4740/4885KDM4E 581/4885ALDH1A1 4082/4885

“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.