SCHEMBL26684759

SCHEMBL26684759

CCOC(=O)c1nc(Br)n2c1CN(C(C)C)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ GABRG2 P18507 6/20 0.35
▸ GABRB3 P28472 6/20 0.35
▸ GABRA5 P31644 6/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ GABRA2 P47869 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ SLC5A1 P13866 2/20 0.34
▸ SLC5A2 P31639 2/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ HRH3 Q9Y5N1 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
SCHEMBL23214479 0.76 ALDH1A1 (0.45) KMT2AALDH1A1KDM4EMEN1
SCHEMBL31700182 0.76 ADORA1 (0.43) ADORA1KMT2AGABRG2GABRB3GABRA5
SCHEMBL26684272 0.75 GABRG2 (0.34) KMT2AGABRG2GABRB3GABRA5HPGD
SCHEMBL26684492 0.75 LMNA (0.45) ADORA1KMT2AGABRG2GABRB3GABRA5
SCHEMBL26684195 0.74 TARBP2 (0.37) ADORA1KMT2AALDH1A1KDM4EMEN1
SCHEMBL12866909 0.72 ADORA1 (0.42) ADORA1KMT2AHPGDALDH1A1KDM4E
SCHEMBL23099065 0.70 ADORA3 (0.41) ADORA3ADORA2AADORA1KMT2AALDH1A1
SCHEMBL26849845 0.68 PARP1 (0.31) ADORA2AADORA1HRH3
SCHEMBL9963424 0.68 DRD3 (0.49) HPGDGABRA1GABRA2CYP1A2HRH3
SCHEMBL21033498 0.66 SMO (0.47) ADORA3ADORA2AADORA1KMT2AGABRG2

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-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 — — US disclosed
EP-4522608-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 — — EP disclosed
CN-119546602-A Pyrrolidone derivatives as inhibitors of nfkb-induced kinase 詹森药业有限公司 2025-02-28 — — CN disclosed
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 — — WO 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-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB ADORA3 4710/4885ADORA2A 4485/4885ADORA1 4523/4885

“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.

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