SCHEMBL18138155

SCHEMBL18138155

COCCOc1cc(N)c2nc(O)n(Cc3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.48
TLR7 Q9NYK1 7/20 0.45
NUDT1 P36639 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR3 Q99500 1/20 0.38
FBP1 P09467 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
SCHEMBL43700 0.74 TLR7 (0.74) TLR7NUDT1
SCHEMBL29386203 0.74 TLR7 (0.74) TLR7NUDT1
SCHEMBL563781 0.71 TLR7 (0.54) TLR7
SCHEMBL562801 0.71 TLR7 (0.60) TLR7
SCHEMBL12766597 0.70 PHLPP2 (0.39) TLR7NUDT1ALDH1A1KDM4EGLA
SCHEMBL10310957 0.70 TLR7 (0.38) TLR7NUDT1ALDH1A1KDM4EGLA
SCHEMBL17689256 0.69 TLR7 (0.44) TLR7NUDT1ALDH1A1KDM4EGLA
SCHEMBL13728321 0.68 TLR7 (0.61) TLR7NUDT1
SCHEMBL2473645 0.67 KDM4E (0.45) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL4090009 0.66 TLR7 (0.59) TLR7NUDT1

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-20180110784-A1 SYNTHETIC TLR4 AND TLR7 LIGANDS TO PREVENT, INHIBIT OR TREAT LIVER DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-04-26 US disclosed
US-20180110784-A1 SYNTHETIC TLR4 AND TLR7 LIGANDS TO PREVENT, INHIBIT OR TREAT LIVER DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-04-26 US disclosed
WO-2016164640-A1 SYNTHETIC TLR4 AND TLR7 LIGANDS TO PREVENT, INHIBIT OR TREAT LIVER DISEASE CARSON DENNIS A (US) 2016-10-13 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-20180110784-A1 SYNTHETIC TLR4 AND TLR7 LIGANDS TO PREVENT, INHIBIT OR TREAT LIVER DISEASE TLR4, TLR9, TLR1 ADORA1 1774/4885TLR7 5/4885NUDT1 1532/4885

“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.