SCHEMBL17545937

SCHEMBL17545937

C[Si](C)(C)CCOCn1ncc2c(O[C@H]3CCCNC3)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRM1 P11229 1/20 0.33
CHEK1 O14757 2/20 0.33
KCNH2 Q12809 2/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
ROCK1 Q13464 3/20 0.31
DGAT1 O75907 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL17545930 0.83 SCN9A (0.41) SCN5ASCN9AKCNH2
SCHEMBL17545885 0.79 MEN1 (0.41) CHEK1KCNH2JAK2JAK1
SCHEMBL17545873 0.79 MEN1 (0.41) CHEK1KCNH2JAK2JAK1
SCHEMBL2733726 0.79 PIK3CD (0.42) PIK3CDGPR119
SCHEMBL31124405 0.77 SCN9A (0.42) PIK3CDSCN5ASCN9ACHRM1KCNH2
SCHEMBL18419033 0.75 MEN1 (0.38) PIK3CDJAK1
SCHEMBL17545927 0.73 PIK3CD (0.52) PIK3CDSCN5ASCN9AGPR119JAK2
SCHEMBL24537044 0.73 CHRM1 (0.38) CHRM1CHEK1
SCHEMBL1441946 0.71 LMNA (0.37)
SCHEMBL17527355 0.69 BTK (0.46) PIK3CD

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
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK PIK3CD 108/4885SCN5A 4620/4885SCN9A 4647/4885

“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.