SCHEMBL29935836

SCHEMBL29935836

COc1cccn2ncc(C=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.44
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
DRD2 P14416 5/20 0.43
DRD4 P21917 5/20 0.43
DRD3 P35462 5/20 0.43
GAA P10253 3/20 0.42
DRD1 P21728 4/20 0.40
HTR2A P28223 4/20 0.40
ALDH1A1 P00352 6/20 0.39
CYP1A2 P05177 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SRC P12931 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38

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
SCHEMBL3079162 0.80 EPHB3 (0.43) DRD2DRD4DRD3ALDH1A1LMNA
SCHEMBL19044621 0.78 NQO2 (0.38) DRD2DRD4DRD3GAAALDH1A1
SCHEMBL31205394 0.77 ALDH1A1 (0.50) ALDH1A1LMNATDP1L3MBTL1HTT
SCHEMBL24566312 0.77 ERN1 (0.38) ERN1DRD2DRD4DRD3ALDH1A1
SCHEMBL29947623 0.77 GAA (0.40) GAAALDH1A1KDM4EIRAK4GLA
SCHEMBL22834624 0.77 JAK2 (0.43) GAAALDH1A1KDM4ETDP1IRAK4
SCHEMBL2295471 0.77 IRAK4 (0.39) GAAALDH1A1KDM4EIRAK4L3MBTL1
SCHEMBL31439956 0.77 ALDH1A1 (0.38) DRD2DRD4DRD3ALDH1A1LMNA
SCHEMBL20887495 0.76 CDK2 (0.44) DRD2DRD4DRD3GAADRD1
SCHEMBL21816279 0.75 IRAK4 (0.47) GAAALDH1A1KDM4EIRAK4HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-4605386-A1 ANTI-VIRAL COMPOUNDS Aligos Therapeutics, Inc. (US) 2025-08-27 EP disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
WO-2024086111-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2024-04-25 WO disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US 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 (4 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ERN1 3219/4885TLR2 2399/4885TLR1 3354/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH ERN1 3111/4885TLR2 2747/4885TLR1 3058/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ERN1 3219/4885TLR2 2399/4885TLR1 3354/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ERN1 3219/4885TLR2 2399/4885TLR1 3354/4885

“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.