SCHEMBL2277464

SCHEMBL2277464

CC(C)(C)CNc1cccc(-c2cnc3c(n2)c(C(=O)C(C)(C)C)cn3COCC[Si](C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.37
JAK3 P52333 2/20 0.36
FGFR3 P22607 5/20 0.33
KDR P35968 5/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 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
SCHEMBL2279371 0.87 DGAT1 (0.39) DGAT1JAK3
SCHEMBL1898816 0.86 JAK3 (0.39) DGAT1JAK3FGFR3
SCHEMBL1894283 0.86 DGAT1 (0.38) DGAT1JAK3NPC1RAB9ABRD4
SCHEMBL12372516 0.86 DGAT1 (0.38) DGAT1JAK3BRD4CREBBP
SCHEMBL2275635 0.86 DGAT1 (0.38) DGAT1JAK3BRD4CREBBP
SCHEMBL12372355 0.86 DGAT1 (0.42) DGAT1KDM4EALDH1A1
SCHEMBL2281749 0.85 JAK3 (0.39) DGAT1JAK3BRD4CREBBP
SCHEMBL1889168 0.84 JAK3 (0.37) DGAT1JAK3
SCHEMBL1890628 0.84 JAK3 (0.37) DGAT1JAK3FGFR3KDR
SCHEMBL1893356 0.84 JAK3 (0.37) DGAT1JAK3

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 4740/4885JAK3 7/4885FGFR3 2308/4885

“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.