SCHEMBL2378288

SCHEMBL2378288

CC(C)(C)OC(=O)N1CCCCC1CNC(=O)Nc1cnc2c(ccn2COCC[Si](C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
OPRD1 P41143 1/20 0.39
CHEK2 O96017 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
KDM1A O60341 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
METTL3 Q86U44 1/20 0.35
PDE7B Q9NP56 1/20 0.35
PDE8B O95263 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
F2RL3 Q96RI0 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
GLA P06280 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
AHCY P23526 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
SCHEMBL2379014 0.98 OPRD1 (0.41) PRMT5OPRD1CHEK2FPR3FPR2
SCHEMBL2378164 0.93 CHEK2 (0.39) PRMT5OPRD1CHEK2FPR3FPR2
SCHEMBL2379368 0.93 HCRTR1 (0.34) PRMT5OPRD1ALDH1A1
SCHEMBL2378468 0.91 CHEK2 (0.38) PRMT5OPRD1CHEK2FPR3FPR2
SCHEMBL2378512 0.90 DPP4 (0.33) OPRD1
SCHEMBL2379002 0.90 HCRTR1 (0.34) OPRD1CHEK2ALDH1A1
SCHEMBL2378129 0.88 JAK3 (0.35) OPRD1CHEK2
SCHEMBL2378940 0.86 KDM4E (0.43) PRMT5FPR3FPR2GPR119
SCHEMBL2378303 0.85 NPC1 (0.33) CHEK2ALDH1A1
SCHEMBL2375617 0.85 HTR6 (0.41) CHEK2KDM1AMETTL3ALOX5APFEN1

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 PRMT5 24/4885OPRD1 2588/4885CHEK2 439/4885

“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.