SCHEMBL18511612

SCHEMBL18511612

CCCCNc1nc(C)nc2ccn(CC3CCC3)c12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 18/20 0.48
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38

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
SCHEMBL18511611 0.97 TLR7 (0.47) TLR7KDM4EALDH1A1CYP3A4HPGD
SCHEMBL18511586 0.95 TLR7 (0.50) TLR7KDM4EALDH1A1CYP3A4HPGD
SCHEMBL16483207 0.89 TLR7 (0.62) TLR7TLR8
SCHEMBL16483288 0.85 TLR7 (0.61) TLR7TLR8
SCHEMBL18511632 0.85 TLR7 (0.45) TLR7KDM4EALDH1A1CYP3A4HPGD
SCHEMBL18511658 0.85 TLR7 (0.45) TLR7KDM4EALDH1A1CYP3A4HPGD
SCHEMBL16483289 0.84 TLR7 (0.65) TLR7TLR8
SCHEMBL18511552 0.82 TLR7 (0.58) TLR7KDM4EALDH1A1CYP3A4HPGD
SCHEMBL18511546 0.82 TLR7 (0.61) TLR7KDM4EALDH1A1CYP3A4HPGD
SCHEMBL18511621 0.79 KCNH2 (0.41) TLR7TLR8

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-20170044169-A1 Pyrrolo[3,2-d]pyrimidine derivatives for the treatment of viral infections and other diseases JANSSEN SCIENCES IRELAND UC (IE) 2017-02-16 — — 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-20170044169-A1 Pyrrolo[3,2-d]pyrimidine derivatives for the treatment of viral infections and other diseases TYMS, TYMP, DPYD TLR7 1485/4885KDM4E 1993/4885ALDH1A1 2595/4885

“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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