SCHEMBL2378468

SCHEMBL2378468

CC(C)(C)OC(=O)N1CCCC1CCNC(=O)Nc1cnc2c(ccn2COCC[Si](C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.38
GPR119 Q8TDV5 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PRMT5 O14744 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
OPRD1 P41143 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
F2RL3 Q96RI0 2/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL2378164 0.98 CHEK2 (0.39) CHEK2GPR119ALOX5APFEN1PRMT5
SCHEMBL2379014 0.93 OPRD1 (0.41) CHEK2GPR119ALOX5APFEN1PRMT5
SCHEMBL2378441 0.93 DGAT1 (0.32) CHEK2JAK2JAK3
SCHEMBL2378288 0.91 PRMT5 (0.40) CHEK2GPR119ALOX5APFEN1PRMT5
SCHEMBL2378303 0.90 NPC1 (0.33) CHEK2KMT2AALDH1A1L3MBTL1
SCHEMBL2378019 0.90 CHEK2 (0.35) CHEK2JAK2JAK3
SCHEMBL2377584 0.88 CHEK2 (0.36) CHEK2JAK2JAK3ALDH1A1
SCHEMBL2376507 0.87 KEAP1 (0.39) CHEK2GPR119
SCHEMBL2378883 0.87 CYP2C9 (0.46) CHEK2ALOX5APFEN1FPR3FPR2
SCHEMBL2378512 0.85 DPP4 (0.33) OPRD1JAK2JAK3

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 CHEK2 439/4885GPR119 2645/4885ALOX5AP 2892/4885

“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.