SCHEMBL21665752

SCHEMBL21665752

C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C[C@H]4CC[C@@H](O)C4)c3)ncnc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.34
JAK2 O60674 3/20 0.34
JAK3 P52333 3/20 0.34
TYK2 P29597 2/20 0.34
DGAT1 O75907 4/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
LRRK2 Q5S007 1/20 0.30
ACACB O00763 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
SCHEMBL25813723 0.89 LRRK2 (0.38) JAK1JAK2JAK3TYK2DGAT1
SCHEMBL103509 0.84 JAK2 (0.38) JAK1JAK2JAK3TYK2DGAT1
SCHEMBL103508 0.84 JAK2 (0.38) JAK1JAK2JAK3TYK2DGAT1
SCHEMBL102017 0.80 ALK (0.34) JAK1JAK2JAK3TYK2DGAT1
SCHEMBL102018 0.80 ALK (0.34) JAK1JAK2JAK3TYK2DGAT1
SCHEMBL19601282 0.80 SIGMAR1 (0.43) DGAT1LRRK2
SCHEMBL12732015 0.80 JAK2 (0.34) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL103551 0.79 RET (0.34) DGAT1LRRK2
SCHEMBL103550 0.79 RET (0.34) DGAT1LRRK2
SCHEMBL1602689 0.79 JAK2 (0.46) JAK1JAK2JAK3TYK2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200038404-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 CORP (US) 2020-02-06 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-20200038404-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 JAK1 3/4885JAK2 1/4885JAK3 2/4885

“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.