SCHEMBL27101047

SCHEMBL27101047

COC(=O)c1cnc(NC2CCN(C(=O)OC(C)(C)C)CC2)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
NSD2 O96028 2/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR119 Q8TDV5 5/20 0.46
PIK3CD O00329 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
BTK Q06187 2/20 0.45
CNR1 P21554 1/20 0.44
PIK3CA P42336 1/20 0.44
EHMT2 Q96KQ7 2/20 0.43
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL27101050 0.86 ALDH1A1 (0.50) ALDH1A1NSD2NPC1MAPTMAPK1
SCHEMBL29712740 0.86 ALDH1A1 (0.50) ALDH1A1NSD2NPC1MAPTMAPK1
SCHEMBL27101037 0.85 ALDH1A1 (0.51) ALDH1A1NSD2NPC1MAPTMAPK1
SCHEMBL29417829 0.85 ALDH1A1 (0.49) ALDH1A1NSD2NPC1MAPTMAPK1
SCHEMBL27101046 0.84 OPRK1 (0.52) ALDH1A1NSD2NPC1MAPTMAPK1
SCHEMBL18440746 0.83 IRAK4 (0.43) ALDH1A1NPC1MAPTMAPK1RAB9A
SCHEMBL23185880 0.82 ALDH1A1 (0.56) ALDH1A1NSD2NPC1MAPTMAPK1
SCHEMBL29848392 0.81 ALDH1A1 (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4444780 0.81 ALDH1A1 (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL31615767 0.81 KIT (0.48) NPC1MAPTRAB9AGPR119PIK3CA

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-20240067645-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF LG CHEM, LTD. (KR) 2024-02-29 US disclosed
CN-116615199-A Heterocyclic compounds as diacylglycerol kinase inhibitors and uses thereof 株式会社LG化学 2023-08-18 CN 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-20240067645-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF DGKA, DGKB, DGKK ALDH1A1 2241/4885NSD2 2352/4885NPC1 1024/4885

“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.