SCHEMBL2344724

SCHEMBL2344724

CN(c1ccccc1)c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2COCC[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.35
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
SYK P43405 1/20 0.33
RXRG P48443 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 1/20 0.31
KLKB1 P03952 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
NPC1 O15118 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
SCHEMBL12799408 0.88 DGAT1 (0.35) DGAT1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL12799413 0.86 DGAT1 (0.34) DGAT1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL2344237 0.84 DGAT1 (0.38) DGAT1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL12372355 0.83 DGAT1 (0.42) DGAT1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL2344046 0.81 DGAT1 (0.36) DGAT1KLKB1
SCHEMBL2344746 0.81 JAK3 (0.36) DGAT1KDM4EALDH1A1
SCHEMBL15569889 0.81 SYK (0.56) DGAT1SYK
SCHEMBL1635721 0.80 DGAT1 (0.37) DGAT1KDM4EALDH1A1NPC1
SCHEMBL12402542 0.80 DGAT1 (0.36) DGAT1KLKB1
SCHEMBL650307 0.80 DGAT1 (0.42) DGAT1KLKB1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250172-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-7902197-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-03-08 US disclosed
US-7902197-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-03-08 US disclosed
US-7902197-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-03-08 US disclosed
EP-2250172-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 EP disclosed
WO-2009106443-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215788-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215788-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215788-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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-20090215788-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 DGAT1 4730/4885RXRA 4058/4885RXRB 3677/4885

“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.