SCHEMBL29909792

SCHEMBL29909792

CN(C)Cc1cnc(Oc2cccc(N(C)c3nc4nnc(Cl)n4c4ccccc34)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.32
HDAC1 Q13547 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL29909278 0.86 RXRB (0.37)
SCHEMBL29909636 0.84 ABCG2 (0.32)
SCHEMBL23601960 0.81 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
SCHEMBL29909361 0.74 HSD17B1 (0.39) CYP1A2CYP2C9CYP2C19
SCHEMBL29909568 0.74 TNKS (0.38)
SCHEMBL29909750 0.73 ABCG2 (0.36)
SCHEMBL29909741 0.73 NPC1 (0.43)
SCHEMBL29909849 0.73 SCN9A (0.37) CYP1A2
SCHEMBL29909353 0.72 ABCG2 (0.37) DYRK1A
SCHEMBL29909708 0.71 ABCG2 (0.41)

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 DYRK1A 1410/4885HDAC1 1296/4885SLC6A2 4764/4885

“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.