SCHEMBL5617035

SCHEMBL5617035

CCc1nc2cnc3ccccc3c2n1CC1(C(N)=O)CCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
AKR1B10 O60218 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
PIM1 P11309 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
TLR8 Q9NR97 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
SCHEMBL5617238 0.92 TLR7 (0.39) TLR7LMNATSHRAKR1B10TLR8
SCHEMBL5616924 0.91 SMN1; SMN2 (0.38) TLR7SMN1; SMN2ALDH1A1GAALMNA
SCHEMBL5617059 0.87 POLB (0.38) SMN1; SMN2ALDH1A1GAALMNAMEN1
SCHEMBL5616950 0.86 TLR7 (0.41) TLR7SMN1; SMN2LMNATSHRMEN1
SCHEMBL5617070 0.85 TLR7 (0.43) TLR7SMN1; SMN2ALDH1A1GAALMNA
SCHEMBL5617323 0.82 KDM4E (0.40) TLR7SMN1; SMN2LMNATSHRAKR1B10
SCHEMBL5617027 0.82 TLR7 (0.58) TLR7TLR8
SCHEMBL1141225 0.79 KMT2A (0.40) SMN1; SMN2ALDH1A1GAALMNAMEN1
SCHEMBL5617020 0.77 TLR7 (0.41) TLR7TSHRMEN1KMT2ATLR8
SCHEMBL1140890 0.77 GAA (0.37) TLR7ALDH1A1GAALMNAPDE10A

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-8697873-B2 Amide substituted imidazopyridines, imidazoquinolines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-15 US disclosed
US-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2007-09-20 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-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES IL2, IL4, IFNG TLR7 123/4885SMN1; SMN2 3333/4885ALDH1A1 1449/4885

“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.