SCHEMBL787541

SCHEMBL787541

Oc1nc2cnc3ccccc3c2n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.45
TLR8 Q9NR97 4/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.41
TNF P01375 1/20 0.40
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6722351 0.83 POLB (0.48) TLR7TLR8LMNAPOLB
SCHEMBL13968055 0.83 TLR7 (0.55) TLR7TLR8
SCHEMBL9602708 0.83 TLR7 (0.61) TLR7TLR8RAB9AALDH1A1LMNA
SCHEMBL213111 0.83 TLR7 (0.45) TLR7TLR8RAB9AALDH1A1LMNA
Water SCHEMBL9603053 0.82 TLR7 (0.60) TLR7TLR8RAB9AALDH1A1LMNA
SCHEMBL212874 0.80 POLB (0.48) TLR7ALDH1A1LMNAPIK3CDPIK3CA
SCHEMBL13968057 0.78 LMNA (0.62) TLR7TLR8LMNA
SCHEMBL6722233 0.78 TSHR (0.51) TLR7TLR8RAB9ALMNAPOLB
SCHEMBL211223 0.77 TLR7 (0.51) TLR7TLR8
SCHEMBL211352 0.76 TLR7 (0.71) TLR7TLR8

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-8377957-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-19 US disclosed
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2012-03-22 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-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 TLR7 58/4885TLR8 137/4885RAB9A 3250/4885

“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.