SCHEMBL843087

SCHEMBL843087

CCc1cccc2nc(N)c3nc(N)n(CC(C)C)c3c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
ADORA2A P29274 1/20 0.42
ADRA1A P35348 1/20 0.42
NUDT1 P36639 1/20 0.42
HTR2B P41595 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNH2 Q12809 1/20 0.42
ELANE P08246 4/20 0.41
TLR8 Q9NR97 3/20 0.41
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
GSK3B P49841 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL841901 0.85 TLR7 (0.43) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL843088 0.81 TLR8 (0.44) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL843381 0.81 ELANE (0.46) TLR7ELANETLR8
SCHEMBL842364 0.78 TLR7 (0.62) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8574787 0.76 TLR7 (0.55) TLR7TLR8
SCHEMBL17799411 0.76 TLR7 (0.46) TLR7TLR8
SCHEMBL841902 0.71 TLR7 (0.43) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL25958790 0.71 TLR7 (0.49) TLR7NUDT1TLR8
SCHEMBL3872728 0.70 TLR7 (0.71) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL843722 0.70 TLR7 (0.43) TLR7LMNAPOLBHTR2ATLR8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9109040-B2 Treatment and prevention of malaria THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2015-08-18 US disclosed
US-20140010816-A1 TREATMENT AND PREVENTION OF MALARIA THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2014-01-09 US disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 TLR7 110/4885LMNA 4092/4885POLB 3413/4885

“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.