SCHEMBL2709485

SCHEMBL2709485

CCCc1nc2cnc3ccccc3c2n1OCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PPARG P37231 1/20 0.37
TLR8 Q9NR97 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2709438 0.85 KDM4E (0.40) TLR7LMNAMEN1KMT2ABLM
SCHEMBL2706417 0.81 TLR7 (0.59) TLR7TLR8
SCHEMBL2708176 0.81 MEN1 (0.43) TLR7LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2708237 0.81 TLR7 (0.44) TLR7LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2709157 0.79 MEN1 (0.41) TLR7LMNATSHRHTTMEN1
SCHEMBL5617123 0.79 KDM4E (0.43) TLR7LMNASMN1; SMN2KDM4ERXFP1
SCHEMBL2707597 0.78 HPGD (0.45) TLR7LMNAMEN1KMT2ABLM
SCHEMBL5617119 0.78 TLR7 (0.45) TLR7LMNAHTTSMN1; SMN2RXFP1
SCHEMBL5617072 0.77 TLR7 (0.45) TLR7LMNAHTTSMN1; SMN2TLR8
SCHEMBL5617050 0.76 TLR7 (0.46) TLR7LMNAHTTSMN1; SMN2TLR8

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 110/4885LMNA 4281/4885TSHR 629/4885

“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.