SCHEMBL19601282

SCHEMBL19601282

Cn1cc(-c2ncnc3c2ccn3COCC[Si](C)(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
PRMT5 O14744 1/20 0.39
DGAT1 O75907 5/20 0.39
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
KIT P10721 1/20 0.35
LRRK2 Q5S007 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
SCN2A Q99250 1/20 0.32
CECR2 Q9BXF3 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
AXL P30530 2/20 0.32

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
SCHEMBL13243593 0.91 DGAT1 (0.37) SIGMAR1PRMT5DGAT1SCN5ASCN9A
SCHEMBL6127063 0.87 DGAT1 (0.34) SIGMAR1DGAT1
SCHEMBL19075441 0.86 SIGMAR1 (0.44) SIGMAR1PRMT5DGAT1LRRK2
SCHEMBL6127068 0.86 JAK2 (0.35) SIGMAR1DGAT1KITLRRK2
SCHEMBL17220532 0.86 DGAT1 (0.33) SIGMAR1PRMT5DGAT1
SCHEMBL17220533 0.86 DGAT1 (0.33) SIGMAR1DGAT1LRRK2TBK1
SCHEMBL100799 0.85 DGAT1 (0.35) SIGMAR1DGAT1
SCHEMBL2383469 0.85 JAK2 (0.38) SIGMAR1DGAT1KITLRRK2
SCHEMBL19075431 0.84 JAK2 (0.38) DGAT1
SCHEMBL17466918 0.84 DGAT1 (0.38) DGAT1AXL

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-10463667-B2 Metabolites of the janus kinase inhibitor (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile INCYTE INCORPORATION (US) 2019-11-05 US disclosed
US-20170326144-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION 2017-11-16 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 (2 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-20170326144-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE JAK2, JAK3, JAK1 SIGMAR1 4305/4885PRMT5 303/4885DGAT1 2356/4885
US-10463667-B2 Metabolites of the janus kinase inhibitor (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile JAK3, JAK1, JAK2 SIGMAR1 4138/4885PRMT5 276/4885DGAT1 2612/4885

“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.