SCHEMBL2707615

SCHEMBL2707615

CC(C)On1c(C2CCCCC2)nc2cnc3ccccc3c21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.50
ATM Q13315 1/20 0.43
LRRK2 Q5S007 1/20 0.39
CNR2 P34972 3/20 0.37
CNR1 P21554 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL2707621 0.87 TLR7 (0.53) TLR7ATMLRRK2CNR2CNR1
SCHEMBL2706315 0.80 TLR7 (0.45) TLR7ATMADORA3
SCHEMBL9215234 0.79 TLR7 (0.64) TLR7ATMLRRK2CNR2CNR1
SCHEMBL2709418 0.77 ALDH1A1 (0.45) TLR7ADORA3ALDH1A1CYP1A2CYP2C9
SCHEMBL2707323 0.76 ALDH1A1 (0.41) TLR7LRRK2CNR2ADORA3ALDH1A1
SCHEMBL2707291 0.74 ALDH1A1 (0.40) TLR7L3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL2707466 0.74 TLR7 (0.45) TLR7L3MBTL1ADORA3ALDH1A1CYP1A2
SCHEMBL2709372 0.74 ALDH1A1 (0.40) TLR7LRRK2CNR2ADORA3ALDH1A1
SCHEMBL22749293 0.71 TLR7 (0.43) TLR7
SCHEMBL22749296 0.71 TLR7 (0.43) TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789042-B1 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2012-05-02 EP disclosed
US-7579359-B2 1-alkoxy 1H-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-08-25 US disclosed
EP-1789042-A4 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 US disclosed
EP-1789042-A2 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-30 EP disclosed
WO-2006028962-A2 1-ALKOXY 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-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases IL2, IL4, IRF3 TLR7 110/4885ATM 3747/4885LRRK2 4417/4885

“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.