SCHEMBL29909296

SCHEMBL29909296

CN(c1cccc(-c2ccc(OC3CCNCC3)cc2)c1)c1nc2nnc(Cl)n2c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.41
SYK P43405 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HRH1 P35367 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM1A O60341 3/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
TRIM58 Q8NG06 3/20 0.33
CHEK2 O96017 1/20 0.33
PRKCZ Q05513 1/20 0.33

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
SCHEMBL29909446 0.90 HRH3 (0.36) TLR9TLR8TLR7HRH3CHRM3
SCHEMBL29909227 0.83 ABCG2 (0.34)
SCHEMBL29909568 0.80 TNKS (0.38)
SCHEMBL23577205 0.80 KHK (0.40) KHKTLR9TLR8TLR7HRH3
SCHEMBL29909411 0.80 KHK (0.40) KHKTLR9TLR8TLR7HRH3
SCHEMBL23577204 0.80 KHK (0.40) KHKTLR9TLR8TLR7HRH3
SCHEMBL29909406 0.80 ABCG2 (0.36)
SCHEMBL30961045 0.80 KCNH2 (0.34)
SCHEMBL29909735 0.79 NTRK1 (0.40) TLR9TLR8TLR7
SCHEMBL29909643 0.79 ABCG2 (0.37)

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-12054490-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-08-06 US disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP 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-12054490-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK KHK 1059/4885SYK 1945/4885TLR9 2369/4885

“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.