SCHEMBL2379368

SCHEMBL2379368

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
DGAT1 O75907 2/20 0.32
PRMT5 O14744 1/20 0.32
ALDH1A1 P00352 1/20 0.31
DPP4 P27487 1/20 0.31
BRD4 O60885 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
OPRD1 P41143 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL2378512 0.98 DPP4 (0.33) HCRTR1HCRTR2DGAT1DPP4BRD4
SCHEMBL2379002 0.93 HCRTR1 (0.34) HCRTR1HCRTR2DGAT1ALDH1A1BRD4
SCHEMBL2378288 0.93 PRMT5 (0.40) PRMT5ALDH1A1OPRD1
SCHEMBL2378303 0.92 NPC1 (0.33) DGAT1ALDH1A1NPC1RAB9A
SCHEMBL2378129 0.91 JAK3 (0.35) HCRTR1HCRTR2DGAT1DPP4BRD4
SCHEMBL2379014 0.90 OPRD1 (0.41) PRMT5ALDH1A1OPRD1
SCHEMBL2378441 0.90 DGAT1 (0.32) HCRTR1HCRTR2DGAT1DPP4NPC1
SCHEMBL2378283 0.87 JAK2 (0.35) DGAT1NPC1RAB9AJAK2JAK1
SCHEMBL2377611 0.85 JAK2 (0.36) DGAT1ALDH1A1JAK2JAK1JAK3
SCHEMBL2377584 0.85 CHEK2 (0.36) DGAT1ALDH1A1NPC1RAB9AJAK2

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 HCRTR1 2743/4885HCRTR2 3424/4885DGAT1 4356/4885

“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.