SCHEMBL2376507

SCHEMBL2376507

CC(C)(C)OC(=O)N1CCC(CCNC(=O)Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.39
NFE2L2 Q16236 4/20 0.39
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 1/20 0.38
ADORA2B P29275 3/20 0.37
ADORA2A P29274 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
GPR119 Q8TDV5 6/20 0.37
FAAH O00519 1/20 0.37
CHEK2 O96017 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL2378940 0.93 KDM4E (0.43) PIK3CAMTORKDM4EPKMGPR119
SCHEMBL2376854 0.93 BRD4 (0.38) PIK3CAMTORPIK3CGNAMPT
SCHEMBL2378883 0.92 CYP2C9 (0.46) ADORA2BADORA2ACHEK2
SCHEMBL2375778 0.91 JAK2 (0.40) CHEK2NAMPT
SCHEMBL2378719 0.90 KDM4E (0.39) KDM4EPKMGPR119NAMPT
SCHEMBL2376834 0.89 CA12 (0.44) PIK3CAMTORPIK3CGGPR119
SCHEMBL2378468 0.87 CHEK2 (0.38) GPR119CHEK2
SCHEMBL2378878 0.87 PIK3CA (0.36) KEAP1NFE2L2PIK3CAMTORPIK3CG
SCHEMBL2378164 0.87 CHEK2 (0.39) GPR119CHEK2
SCHEMBL2379264 0.87 EPHX1 (0.42) PIK3CAMTORPIK3CGGPR119

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
EP-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 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-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 KEAP1 2155/4885NFE2L2 1382/4885PIK3CA 563/4885

“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.