SCHEMBL12726743

SCHEMBL12726743

CCCCOc1nc(N)c2nc(C)n(Cc3ccc(-c4cccc(CN5CCCC5)c4)nc3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 18/20 0.62
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55

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
SCHEMBL12800328 0.91 TLR7 (0.58) TLR7CYP3A4CYP2D6
SCHEMBL12305188 0.89 CYP3A4 (0.65) TLR7CYP3A4CYP2D6
SCHEMBL12800329 0.84 TLR7 (0.70) TLR7
SCHEMBL12726948 0.83 TLR7 (0.57) TLR7CYP3A4CYP2D6
SCHEMBL12726706 0.82 TLR7 (0.65) TLR7CYP3A4CYP2D6
SCHEMBL12726751 0.81 TLR7 (0.56) TLR7CYP3A4CYP2D6
SCHEMBL12726805 0.81 TLR7 (0.56) TLR7CYP3A4CYP2D6
SCHEMBL12726716 0.81 TLR7 (0.64) TLR7CYP3A4CYP2D6
SCHEMBL12726731 0.81 TLR7 (0.64) TLR7CYP3A4CYP2D6
SCHEMBL15695425 0.80 TLR7 (0.62) TLR7CYP3A4CYP2D6

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-8507507-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-08-13 — — US disclosed
US-20110098248-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2011-04-28 — — 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-20110098248-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR6, TLR1 TLR7 9/4885CYP3A4 4822/4885CYP2D6 4835/4885

“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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