SCHEMBL17545873

SCHEMBL17545873

CN(c1ncnc2c1cnn2COCC[Si](C)(C)C)[C@H]1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
CHEK1 O14757 1/20 0.34
KCNH2 Q12809 1/20 0.34
JAK1 P23458 5/20 0.33
JAK3 P52333 5/20 0.33
TP53 P04637 3/20 0.33
JAK2 O60674 2/20 0.33
CDK4 P11802 1/20 0.32
PDE4B Q07343 1/20 0.31
LMNA P02545 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL18421581 1.00 MEN1 (0.41) MEN1KMT2AMAPTMAPKAPK2CHEK1
SCHEMBL17545885 1.00 MEN1 (0.41) MEN1KMT2AMAPTMAPKAPK2CHEK1
SCHEMBL18419033 0.94 MEN1 (0.38) MEN1KMT2AMAPTMAPKAPK2JAK1
SCHEMBL17545937 0.79 PIK3CD (0.42) CHEK1KCNH2JAK1JAK2
SCHEMBL18425094 0.78 BTK (0.38) MEN1KMT2AJAK3
SCHEMBL17545875 0.78 JAK2 (0.40) MEN1KMT2AMAPTJAK1JAK3
SCHEMBL18465519 0.78 SMN1; SMN2 (0.47) MEN1KMT2AMAPTMAPKAPK2CHEK1
SCHEMBL27028314 0.77 CHEK2 (0.33) MEN1KMT2AMAPTMAPKAPK2JAK1
SCHEMBL2732213 0.77 GPR119 (0.41) MEN1KMT2AJAK1JAK3JAK2
SCHEMBL17546141 0.74 GPR119 (0.44) JAK1JAK2

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-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

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 MEN1 2539/4885KMT2A 1089/4885MAPT 1648/4885

“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.