SCHEMBL29909779

SCHEMBL29909779

CN(c1cnc(-c2ccc(C(C)(C)C)cc2)s1)c1nc(NN)nc2cc(Cl)ccc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TNF P01375 1/20 0.31
NOD1 Q9Y239 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
IDO1 P14902 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL23577295 1.00 GAA (0.34) GAAMAPTTNFNOD1KDM4E
SCHEMBL23576830 0.88 TNF (0.34) GAAMAPTTNFNOD1KDM4E
SCHEMBL29909241 0.88 TNF (0.34) GAAMAPTTNFNOD1KDM4E
SCHEMBL24721493 0.77 MAPT (0.37) GAAMAPTKDM4ENPC1
SCHEMBL23601221 0.75 FNTA (0.37) KDM4ENPC1RAB9A
SCHEMBL30013543 0.74 GAA (0.38) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL23577932 0.72 GAA (0.36) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL29909528 0.72 GAA (0.36) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL30961048 0.70 GAA (0.50) GAAMAPT
SCHEMBL23577187 0.70 GAA (0.50) GAAMAPT

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 4 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
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 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 GAA 2227/4885MAPT 4206/4885TNF 2827/4885

“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.