SCHEMBL29909562

SCHEMBL29909562

CN(c1ccccc1)c1nc2nncn2c2cc(-c3ccccc3F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2B P29275 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
MAPT P10636 1/20 0.35
PDE5A O76074 2/20 0.35
GRIN2B Q13224 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL23577767 1.00 BACE1 (0.37) BACE1ADORA2AADORA1ADORA2BABCG2
SCHEMBL23601533 0.87 SMN1; SMN2 (0.40) ABCG2MAPTPDE5A
SCHEMBL23577125 0.87 PDE5A (0.42) ABCG2MAPTPDE5A
SCHEMBL23576805 0.86 ABCG2 (0.42) BACE1ADORA2AADORA1ADORA2BABCG2
SCHEMBL29909532 0.86 ABCG2 (0.42) BACE1ADORA2AADORA1ADORA2BABCG2
SCHEMBL29909129 0.85 LMNA (0.40) MAPTNPC1RAB9A
SCHEMBL23577361 0.85 LMNA (0.40) MAPTNPC1RAB9A
SCHEMBL29909329 0.85 ABCG2 (0.47) ABCG2PDE5A
SCHEMBL23577176 0.85 ABCG2 (0.47) ABCG2PDE5A
SCHEMBL23576963 0.84 ABCG2 (0.42) ABCG2PDE5A

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 BACE1 4325/4885ADORA2A 1180/4885ADORA1 2763/4885

“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.