SCHEMBL4537488

SCHEMBL4537488

C/C(=C\C(=O)O)c1ccc2nc(N)c3ncn(CC(C)(C)O)c3c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.61
NUDT1 P36639 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HRH2 P25021 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
ADORA2A P29274 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.40
TLR8 Q9NR97 7/20 0.38
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32

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
SCHEMBL4520847 0.93 TLR7 (0.62) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL4537492 0.80 TLR7 (0.61) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL4531160 0.79 TLR7 (0.71) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL189202 0.76 TLR7 (1.00) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL29508382 0.76 TLR7 (1.00) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL4537483 0.76 TLR7 (0.58) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL14758154 0.76 TLR7 (0.69) TLR7TLR8
SCHEMBL4520850 0.76 TLR7 (0.62) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL4531131 0.74 TLR7 (0.72) TLR7NUDT1TLR8
SCHEMBL4530116 0.73 TLR7 (0.65) TLR7NUDT1LMNAPOLBHRH2

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-8658666-B2 Substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-25 US disclosed
US-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines COLEY PHARMACEUTIAL GROUP, INC. (NY) 2009-04-16 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-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines IL2, EIF2AK2, IFNG TLR7 35/4885NUDT1 313/4885LMNA 4221/4885

“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.