SCHEMBL20134852

SCHEMBL20134852

Cc1ccc2nn(C3CCNCC3)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.60
TLR7 Q9NYK1 4/20 0.46
TLR9 Q9NR96 3/20 0.46
TLR4 O00206 2/20 0.46
IRAK4 Q9NWZ3 4/20 0.41
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
Hydrochloric Acid SCHEMBL28215651 0.99 TLR8 (0.59) TLR8TLR7TLR9TLR4IRAK4
SCHEMBL20135691 0.82 TLR8 (0.57) TLR8TLR7TLR9TLR4IRAK4
SCHEMBL27004828 0.82 IRAK4 (0.44) TLR8IRAK4
SCHEMBL20135108 0.82 TLR8 (0.57) TLR8TLR7TLR9TLR4IRAK4
Hydrochloric Acid SCHEMBL30508248 0.81 TLR8 (0.56) TLR8TLR7TLR9TLR4IRAK4
Hydrochloric Acid SCHEMBL28215589 0.81 TLR8 (0.56) TLR8TLR7TLR9TLR4IRAK4
Hydrochloric Acid SCHEMBL28215605 0.81 TLR8 (0.56) TLR8TLR7TLR9TLR4IRAK4
SCHEMBL15345154 0.79 TLR8 (0.39) TLR8IRAK4
SCHEMBL20809468 0.78 TLR8 (0.52) TLR8TLR7TLR9TLR4IRAK4
SCHEMBL27004838 0.78 TLR8 (0.38) TLR8IRAK4JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP 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 (2 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 TLR8 1204/4885TLR7 843/4885TLR9 113/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 TLR8 1209/4885TLR7 795/4885TLR9 104/4885

“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.