SCHEMBL2379002

SCHEMBL2379002

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CHEK2 O96017 1/20 0.34
OPRD1 P41143 1/20 0.33
JAK3 P52333 4/20 0.33
JAK2 O60674 3/20 0.33
ALDH1A1 P00352 1/20 0.31
DGAT1 O75907 2/20 0.31
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
JAK1 P23458 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL2378129 0.98 JAK3 (0.35) HCRTR1HCRTR2CHEK2OPRD1JAK3
SCHEMBL2379368 0.93 HCRTR1 (0.34) HCRTR1HCRTR2OPRD1JAK3JAK2
SCHEMBL2377584 0.92 CHEK2 (0.36) CHEK2JAK3JAK2ALDH1A1DGAT1
SCHEMBL2378512 0.91 DPP4 (0.33) HCRTR1HCRTR2OPRD1JAK3JAK2
SCHEMBL2378288 0.90 PRMT5 (0.40) CHEK2OPRD1ALDH1A1
SCHEMBL2378019 0.90 CHEK2 (0.35) HCRTR1HCRTR2CHEK2JAK3JAK2
SCHEMBL2379014 0.88 OPRD1 (0.41) CHEK2OPRD1ALDH1A1
SCHEMBL2378283 0.88 JAK2 (0.35) JAK3JAK2DGAT1JAK1
SCHEMBL2377611 0.86 JAK2 (0.36) JAK3JAK2ALDH1A1DGAT1JAK1
SCHEMBL2378303 0.85 NPC1 (0.33) CHEK2ALDH1A1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102232076-A Pyrrolopyrazinyl urea kinase inhibitors HOFFMANN LA ROCHE 2011-11-02 CN disclosed
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 3424/4885CHEK2 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.