SCHEMBL20413288

SCHEMBL20413288

CCC[C@@H](CCO)Nc1nc(C)ncc1OCCCc1ccc2c(c1)OCO2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.39
▸ TLR7 Q9NYK1 6/20 0.38
▸ TLR8 Q9NR97 5/20 0.38
▸ KCNH2 Q12809 3/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 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
SCHEMBL20413292 0.96 TAS1R3 (0.39) HPGDTLR7TLR8KCNH2TAS1R3
SCHEMBL15470255 0.90 TLR7 (0.42) TLR7TLR8KCNH2
SCHEMBL20413290 0.90 TAS1R3 (0.40) HPGDTLR7TLR8KDM4EKMT2A
SCHEMBL15470269 0.86 TLR7 (0.44) TLR7TLR8KCNH2
SCHEMBL23472376 0.85 HPGD (0.40) HPGDTLR7TLR8KCNH2TMEM97
SCHEMBL14376435 0.84 TLR7 (0.42) HPGDTLR7TLR8
SCHEMBL20219282 0.84 KCNH2 (0.37) TLR7TLR8KCNH2
SCHEMBL15470234 0.80 TLR7 (0.43) TLR7TLR8KDM4ETAS1R3TAS1R1
SCHEMBL20219614 0.80 TLR7 (0.43) TLR7TLR8KDM4ETAS1R3TAS1R1
SCHEMBL23472178 0.78 HPGD (0.41) HPGDKDM4EALDH1A1KMT2A

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 1 patent. 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

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 HPGD 636/4885TLR7 1000/4885TLR8 1540/4885

“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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