SCHEMBL2085337

SCHEMBL2085337

CCC(C(O)O)n1cc(-c2ncnc3c2ccn3COCC[Si](C)(C)C)cn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
DGAT1 O75907 1/20 0.32
F2RL1 P55085 1/20 0.32
TPH1 P17752 1/20 0.31
HDAC3 O15379 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
ADK P55263 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
SCHEMBL19075441 0.88 SIGMAR1 (0.44) SIGMAR1JAK2JAK1DGAT1TPH1
SCHEMBL101721 0.86 JAK2 (0.41) SIGMAR1JAK2JAK1TYK2JAK3
SCHEMBL1498997 0.85 SIGMAR1 (0.33) SIGMAR1JAK2JAK1DGAT1TPH1
SCHEMBL98626 0.85 JAK2 (0.35) SIGMAR1JAK2JAK1DGAT1TPH1
SCHEMBL872289 0.85 JAK2 (0.40) SIGMAR1JAK2JAK1DGAT1HDAC3
SCHEMBL1498970 0.85 DGAT1 (0.35) SIGMAR1JAK2JAK1DGAT1TPH1
SCHEMBL16980124 0.85 SIGMAR1 (0.36) SIGMAR1JAK2JAK1DGAT1TPH1
SCHEMBL99469 0.85 JAK1 (0.33) SIGMAR1JAK2JAK1DGAT1TPH1
SCHEMBL100337 0.84 JAK2 (0.36) SIGMAR1JAK2JAK1DGAT1TYK2
SCHEMBL100034 0.84 JAK2 (0.33) SIGMAR1JAK2JAK1DGAT1TYK2

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-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 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-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 SIGMAR1 4279/4885JAK2 3/4885JAK1 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.