SCHEMBL17545875

SCHEMBL17545875

CN(c1ncnc2c1cnn2COCC[Si](C)(C)C)[C@H]1CCCN(Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
GSK3B P49841 10/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD2 P14416 1/20 0.37
HPGD P15428 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL17545888 1.00 JAK2 (0.40) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL18421581 0.78 MEN1 (0.41) JAK2JAK1JAK3MEN1KMT2A
SCHEMBL17545885 0.78 MEN1 (0.41) JAK2JAK1JAK3MEN1KMT2A
SCHEMBL17545873 0.78 MEN1 (0.41) JAK2JAK1JAK3MEN1KMT2A
SCHEMBL2732213 0.76 GPR119 (0.41) JAK2JAK1JAK3MEN1KMT2A
SCHEMBL18419033 0.76 MEN1 (0.38) JAK1JAK3MEN1KMT2AMAPT
SCHEMBL17546141 0.74 GPR119 (0.44) JAK2JAK1
SCHEMBL18465518 0.73 JAK2 (0.52) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL15856568 0.72 JAK1 (0.71) JAK2JAK1TYK2JAK3
SCHEMBL14615837 0.72 JAK1 (0.71) JAK2JAK1TYK2JAK3

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 3 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

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 JAK2 127/4885JAK1 120/4885TYK2 38/4885

“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.