SCHEMBL4357543

SCHEMBL4357543

CN(C)CC(=O)N1CCC(C2=C3C=NC=C[N+]3(N)C(I)=N2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 14/20 0.35
TLR8 Q9NR97 14/20 0.35
TLR7 Q9NYK1 14/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
TNK2 Q07912 1/20 0.33
BTK Q06187 1/20 0.33
SMO Q99835 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
RET P07949 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
SCHEMBL2325011 0.80 MAPK11 (0.35) TLR9TLR8TLR7MAPK11MAPK14
Methyl Alcohol SCHEMBL14121774 0.80 MAPK11 (0.35) TLR9TLR8TLR7MAPK11MAPK14
SCHEMBL4360394 0.79 TNK2 (0.48) MAPK11MAPK14TNK2BTK
SCHEMBL401581 0.75 TNK2 (0.37) TLR9TLR8TLR7MAPK11MAPK14
SCHEMBL2321033 0.75 MAPK11 (0.34) TLR9TLR8TLR7MAPK11MAPK14
SCHEMBL1128675 0.74 ADORA1 (0.30)
SCHEMBL4360584 0.74
SCHEMBL1553168 0.73 HTT (0.45)
SCHEMBL3172093 0.72
SCHEMBL401217 0.71

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-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 TLR9 3311/4885TLR8 1584/4885TLR7 1602/4885

“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.