SCHEMBL4126730

SCHEMBL4126730

CCCn1nc2c(N)nc3ccccc3c2c1CC1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.41
TLR8 Q9NR97 7/20 0.41
HTR4 Q13639 1/20 0.40
PRKD3 O94806 2/20 0.38
PRKD1 Q15139 2/20 0.38
PRKD2 Q9BZL6 2/20 0.38
SLC6A4 P31645 1/20 0.36
GBA1 P04062 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
SCHEMBL1776461 0.88 TLR7 (0.50) TLR7TLR8
SCHEMBL4790367 0.84 ACP1 (0.39) HTR4
SCHEMBL1232410 0.82 TLR7 (0.51) TLR7TLR8
SCHEMBL12667231 0.82 TLR7 (0.42) TLR7TLR8HTR4PRKD3PRKD1
SCHEMBL1776500 0.79 TLR7 (0.49) TLR7TLR8
SCHEMBL1232558 0.78 TLR7 (0.46) TLR7TLR8
SCHEMBL1233234 0.78 TLR7 (0.48) TLR7TLR8
SCHEMBL1233785 0.78 TLR7 (0.53) TLR7TLR8
SCHEMBL1232718 0.78 TLR7 (0.47) TLR7TLR8
SCHEMBL1233720 0.78 TLR7 (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472420-B2 Immune response modifier conjugates 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-11-12 US disclosed
EP-3085373-A1 IMMUNE RESPONSE MODIFIER CONJUGATES 3M Innovative Properties Company (US) 2016-10-26 EP disclosed
US-20150141625-A1 IMMUNE RESPONSE MODIFIER CONJUGATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-05-21 US disclosed
US-8951528-B2 Immune response modifier conjugates 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-02-10 US disclosed
US-20090035323-A1 IMMUNE RESPONSE MODIFIER CONJUGATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2009-02-05 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 (3 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-20150141625-A1 IMMUNE RESPONSE MODIFIER CONJUGATES IFNG, CD74, MYD88 TLR7 92/4885TLR8 71/4885HTR4 4292/4885
US-20090035323-A1 IMMUNE RESPONSE MODIFIER CONJUGATES IFNG, CD74, MYD88 TLR7 92/4885TLR8 71/4885HTR4 4292/4885
US-10472420-B2 Immune response modifier conjugates IFNG, CD74, MYD88 TLR7 92/4885TLR8 71/4885HTR4 4292/4885

“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.