SCHEMBL843088

SCHEMBL843088

CCc1cccc2c1nc(N)c1nc(N)n(CC(C)C)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 16/20 0.41
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
NUDT1 P36639 1/20 0.40
HTR2B P41595 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.40
ELANE P08246 1/20 0.38
TNF P01375 1/20 0.36
LITAF Q99732 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL841902 0.85 TLR7 (0.43) TLR8TLR7LMNAPOLBHRH2
SCHEMBL843087 0.81 TLR7 (0.42) TLR8TLR7LMNAPOLBHRH2
SCHEMBL843382 0.80 TLR8 (0.46) TLR8TLR7ELANETSHRHSD17B10
SCHEMBL842364 0.79 TLR7 (0.62) TLR8TLR7LMNAPOLBHRH2
SCHEMBL17799412 0.75 TLR7 (0.46) TLR8TLR7
SCHEMBL3251879 0.73 TLR7 (0.39) TLR8TLR7PDE4DL3MBTL1
SCHEMBL3872728 0.71 TLR7 (0.71) TLR8TLR7LMNAPOLBHRH2
SCHEMBL841901 0.71 TLR7 (0.43) TLR8TLR7LMNAPOLBHRH2
SCHEMBL843723 0.69 TLR7 (0.46) TLR7LMNASMN1; SMN2
Bromide SCHEMBL843477 0.69 TLR7 (0.50) TLR8TLR7LMNAPOLBHRH2

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 TLR8 262/4885TLR7 110/4885LMNA 4092/4885

“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.