SCHEMBL29909411

SCHEMBL29909411

CN(c1cccc(-c2ccc(OC3CCNCC3)cc2)c1)c1nc2nncn2c2cc(Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.40
KDM1A O60341 2/20 0.36
AVPR1B P47901 1/20 0.34
SLC6A4 P31645 1/20 0.33
PRKCZ Q05513 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ROCK1 Q13464 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MAT2A P31153 1/20 0.32
SOS1 Q07889 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
SCHEMBL23577205 1.00 KHK (0.40) KHKKDM1AAVPR1BSLC6A4PRKCZ
SCHEMBL23577204 1.00 KHK (0.40) KHKKDM1AAVPR1BSLC6A4PRKCZ
SCHEMBL23577741 0.90 HRH4 (0.36) KDM1AAVPR1BHRH3FNTAFNTB
SCHEMBL23601641 0.87 CHEK2 (0.37)
SCHEMBL29909395 0.87 CHEK2 (0.37)
SCHEMBL29909398 0.85 TP53 (0.37) FNTAFNTB
SCHEMBL23600785 0.85 TP53 (0.37) FNTAFNTB
SCHEMBL29909768 0.85 FNTA (0.40) FNTAFNTBMAT2A
SCHEMBL23601235 0.85 FNTA (0.40) FNTAFNTBMAT2A
SCHEMBL23578328 0.84 MAT2A (0.35) FNTAFNTBMAT2A

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 KHK 1059/4885KDM1A 2569/4885AVPR1B 4609/4885

“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.