SCHEMBL17830001

SCHEMBL17830001

CCC[C@H](CO)Nc1nc(C)nc2ccsc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 7/20 0.44
▸ TLR7 Q9NYK1 4/20 0.44
▸ CRHR1 P34998 2/20 0.41
▸ CXCR2 P25025 2/20 0.41
▸ CX3CR1 P49238 1/20 0.41
▸ KCNH2 Q12809 4/20 0.37
▸ ADORA2A P29274 3/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ ADORA2B P29275 2/20 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
SCHEMBL17829997 0.93 TLR8 (0.47) TLR8TLR7CXCR2KCNH2PDE4A
SCHEMBL18415705 0.93 TLR8 (0.47) TLR8TLR7CXCR2KCNH2PDE4A
SCHEMBL17829978 0.86 TLR8 (0.60) TLR8TLR7CXCR2CX3CR1KCNH2
SCHEMBL17829988 0.86 TLR8 (0.60) TLR8TLR7CXCR2CX3CR1KCNH2
SCHEMBL17829986 0.79 TLR8 (0.64) TLR8TLR7KCNH2
SCHEMBL17830000 0.79 TLR8 (0.64) TLR8TLR7KCNH2
SCHEMBL17829980 0.79 TLR8 (0.64) TLR8TLR7KCNH2
SCHEMBL21536319 0.78 KCNH2 (0.63) TLR8TLR7KCNH2ADORA1
SCHEMBL22448368 0.77 CRHR1 (0.41) TLR8TLR7CRHR1CXCR2CX3CR1
SCHEMBL12510645 0.76 PDE4B (0.46) CXCR2ADORA2AADORA1PDE4APDE4B

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-9556199-B2 Thieno[3,2-d]pyrimidines derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2017-01-31 — — US disclosed
US-20160168164-A1 THIENO[3,2-d]PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 — — 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-20160168164-A1 THIENO[3,2-d]PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMS, TYMP, UMPS TLR8 1457/4885TLR7 766/4885CRHR1 4641/4885

“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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