SCHEMBL3874086

SCHEMBL3874086

Cn1c(=O)c(N)nc2c(O)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.47
DAO P14920 1/20 0.46
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
PLAU P00749 1/20 0.39
NCF1 P14598 1/20 0.39
PDPK1 O15530 1/20 0.37
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PARP1 P09874 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACHE P22303 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 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
SCHEMBL21555491 0.80 TLR8 (0.59) TLR8MAPTPLAUNCF1PDPK1
SCHEMBL6654439 0.75 TLR8 (0.46) TLR8DAOMAPTHTTPLAU
SCHEMBL3194071 0.74 CYP1A2 (0.49) TLR8DAOMAPTHTTPLAU
SCHEMBL7981680 0.72 TLR8 (0.41) TLR8DAOMAPTHTTKDM4E
SCHEMBL7965466 0.71 TLR8 (0.43) TLR8DAOMAPTHTTKDM4E
SCHEMBL7977569 0.70 KDM4E (0.42) TLR8DAOMAPTHTTPLAU
SCHEMBL7011080 0.70 ACHE (0.42) TLR8DAOMAPTHTTKDM4E
SCHEMBL7975692 0.70 TLR8 (0.49) TLR8MAPTHTTKDM4ESMN1; SMN2
SCHEMBL7965248 0.70 TLR8 (0.42) TLR8DAOMAPTHTTKDM4E
SCHEMBL7981849 0.69 TLR7 (0.50) TLR8MAPTHTTKDM4ESMN1; SMN2

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
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
EP-1720868-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2006-11-15 EP disclosed
WO-2005077944-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2005-08-25 WO disclosed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 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-20050176726-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 TLR8 202/4885DAO 1458/4885MAPT 805/4885

“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.