SCHEMBL29909446

SCHEMBL29909446

CN1CCC(Oc2ccc(-c3cccc(N(C)c4nc5nnc(Cl)n5c5ccccc45)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.36
KCNH2 Q12809 5/20 0.36
ADRA1A P35348 4/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CHEK2 O96017 1/20 0.35
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
WEE1 P30291 1/20 0.32
AVPR1B P47901 1/20 0.32

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
SCHEMBL29909296 0.90 KHK (0.41) HRH3TLR9TLR8TLR7CHEK2
SCHEMBL29909227 0.83 ABCG2 (0.34)
SCHEMBL29909583 0.81 TSHR (0.45) SMN1; SMN2POLBTSHRMAPK1
SCHEMBL29909568 0.80 TNKS (0.38)
SCHEMBL23577741 0.80 HRH4 (0.36) HRH3KCNH2ADRA1ATLR9TLR8
SCHEMBL29909406 0.80 ABCG2 (0.36)
SCHEMBL30961045 0.80 KCNH2 (0.34) KCNH2
SCHEMBL29909545 0.79 PIK3R2 (0.38) MAPK1
SCHEMBL29909643 0.79 ABCG2 (0.37)
SCHEMBL29909024 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 HRH3 3738/4885KCNH2 4496/4885ADRA1A 3600/4885

“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.