SCHEMBL2379014

SCHEMBL2379014

CC(C)(C)OC(=O)N1CCCC1CNC(=O)Nc1cnc2c(ccn2COCC[Si](C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.41
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
PRMT5 O14744 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CHEK2 O96017 1/20 0.36
F2RL3 Q96RI0 2/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL2378288 0.98 PRMT5 (0.40) OPRD1FPR3FPR2PRMT5GPR119
SCHEMBL2378468 0.93 CHEK2 (0.38) OPRD1FPR3FPR2PRMT5GPR119
SCHEMBL2378512 0.92 DPP4 (0.33) OPRD1
SCHEMBL2378164 0.91 CHEK2 (0.39) OPRD1FPR3FPR2PRMT5GPR119
SCHEMBL2379368 0.90 HCRTR1 (0.34) OPRD1PRMT5ALDH1A1
SCHEMBL2378129 0.90 JAK3 (0.35) OPRD1CHEK2
SCHEMBL2379002 0.88 HCRTR1 (0.34) OPRD1CHEK2ALDH1A1
SCHEMBL2375617 0.87 HTR6 (0.41) ALOX5APFEN1CHEK2KDM1A
SCHEMBL2378940 0.86 KDM4E (0.43) FPR3FPR2PRMT5GPR119
SCHEMBL2378719 0.85 KDM4E (0.39) PRMT5GPR119ALOX5APFEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US 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 OPRD1 2588/4885FPR3 2108/4885FPR2 2274/4885

“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.