SCHEMBL21769266

SCHEMBL21769266

CCC[C@@H](COC)Nc1nc(N)ncc1OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 11/20 0.41
▸ TLR8 Q9NR97 9/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ P2RX3 P56373 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 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
SCHEMBL15469980 1.00 TLR7 (0.41) TLR7TLR8CYP2D6DRD1HTR2A
SCHEMBL20418750 0.88 TLR8 (0.45) TLR7TLR8CYP2D6DRD1HTR2A
SCHEMBL13195820 0.87 TLR8 (0.53) TLR7TLR8CYP2D6DRD1HTR2A
SCHEMBL13195743 0.87 TLR8 (0.53) TLR7TLR8CYP2D6DRD1HTR2A
SCHEMBL13195695 0.87 TLR8 (0.53) TLR7TLR8CYP2D6DRD1HTR2A
SCHEMBL23472404 0.87 TLR7 (0.51) TLR7TLR8CYP2D6DRD1HTR2A
SCHEMBL20219312 0.86 CYP2D6 (0.56) TLR7TLR8CYP2D6DRD1HTR2A
SCHEMBL13195751 0.86 CYP2D6 (0.56) TLR7TLR8CYP2D6DRD1HTR2A
SCHEMBL23472478 0.86 TLR7 (0.41) TLR7TLR8CYP2D6DRD1HTR2A
SCHEMBL20413266 0.85 TRPM8 (0.41) TLR7TLR8TRPM8TAS1R3TAS1R1

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-10780089-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2020-09-22 — — US disclosed
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2020-02-27 — — 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 (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-10780089-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885CYP2D6 361/4885
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885CYP2D6 361/4885

“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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