SCHEMBL20219641

SCHEMBL20219641

CCC[C@@H](CCO)Nc1nc(C)ncc1OCc1ncc(C)c(OC)c1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 11/20 0.47
▸ TLR8 Q9NR97 3/20 0.47
▸ AGXT P21549 1/20 0.42
▸ CYP2D6 P10635 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ KCNH2 Q12809 5/20 0.37
▸ LPAR3 Q9UBY5 2/20 0.35
▸ CRHR1 P34998 1/20 0.35

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
SCHEMBL20219407 0.94 TLR7 (0.43) TLR7TLR8AGXTKCNH2LPAR3
SCHEMBL20413272 0.93 AGXT (0.43) TLR7TLR8AGXTLPAR3CRHR1
SCHEMBL15470137 0.90 TLR7 (0.54) TLR7TLR8AGXTCYP2D6DRD1
SCHEMBL13195050 0.85 TLR7 (0.50) TLR7TLR8AGXTCYP2D6DRD1
SCHEMBL20219315 0.84 TLR7 (0.66) TLR7TLR8CYP2D6DRD1HTR2A
SCHEMBL20219310 0.83 TLR7 (0.46) TLR7TLR8AGXTCYP2D6DRD1
SCHEMBL15469707 0.83 TLR7 (0.46) TLR7TLR8AGXTCYP2D6DRD1
SCHEMBL23472172 0.81 AGXT (0.39) TLR7TLR8AGXTLPAR3CRHR1
SCHEMBL20386616 0.81 AGXT (0.39) TLR7TLR8AGXTLPAR3CRHR1
SCHEMBL20219313 0.80 TLR7 (0.47) TLR7TLR8CYP2D6DRD1HTR2A

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-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-26 — — US disclosed
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — 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 (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-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885AGXT 541/4885

“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.

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