SCHEMBL29909735

SCHEMBL29909735

CN(c1cccc(-c2ccc(N3CCNCC3)nc2)c1)c1nc2nnc(Cl)n2c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.40
TLR9 Q9NR96 4/20 0.40
TLR8 Q9NR97 4/20 0.40
TLR7 Q9NYK1 4/20 0.40
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
BMPR1B O00238 3/20 0.38
BMPR1A P36894 3/20 0.38
ACVR1 Q04771 3/20 0.38
ACVR1B P36896 2/20 0.38
CNR2 P34972 1/20 0.37
RET P07949 1/20 0.36
METAP2 P50579 2/20 0.36
MAP3K11 Q16584 1/20 0.35
ATR Q13535 1/20 0.35
ACVRL1 P37023 2/20 0.35

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
SCHEMBL30961080 0.93 CNR2 (0.38) TLR9TLR8TLR7CNR2
SCHEMBL29909185 0.88 CNR2 (0.35) TLR9TLR8TLR7KCNH2CNR2
SCHEMBL29909090 0.86 CNR2 (0.37) TLR9TLR8TLR7ACVR1CNR2
SCHEMBL29909353 0.83 ABCG2 (0.37)
SCHEMBL29909708 0.83 ABCG2 (0.41)
SCHEMBL29909741 0.83 NPC1 (0.43) TLR8TLR7MAP3K11
SCHEMBL29909361 0.82 HSD17B1 (0.39)
SCHEMBL29909542 0.81 ABCG2 (0.34)
SCHEMBL23578268 0.81 CNR2 (0.39) NTRK1TLR9TLR8TLR7KCNH2
SCHEMBL29909687 0.80 ABCG2 (0.37) METAP2

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 3 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
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN 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 NTRK1 2949/4885TLR9 2369/4885TLR8 1746/4885

“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.