SCHEMBL21608784

SCHEMBL21608784

COc1ccc(Cn2ncc3c(N)c(Br)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.45
PDE1A P54750 3/20 0.44
PDE1B Q01064 3/20 0.44
PDE1C Q14123 3/20 0.44
SLC2A1 P11166 1/20 0.43
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MCHR1 Q99705 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL21608367 0.86 NPBWR1 (0.47) NPBWR1PDE1APDE1BPDE1CSLC2A1
SCHEMBL9941798 0.82 RECQL (0.50) PKMCNR1CNR2ALDH1A1LMNA
SCHEMBL22139429 0.80 NPBWR1 (0.48) NPBWR1PDE1APDE1BPDE1CPKM
SCHEMBL3289718 0.79 CNR1 (0.50) NPBWR1PDE1APDE1BPDE1CSLC2A1
SCHEMBL16784437 0.78 NPBWR1 (0.51) NPBWR1MCHR1ALDH1A1LMNAMAPT
SCHEMBL25380409 0.78 CNR1 (0.46) NPBWR1PDE1APDE1BPDE1CSLC2A1
SCHEMBL13367133 0.77 CNR1 (0.40) NPBWR1PDE1APDE1BPDE1CSLC2A1
SCHEMBL20176607 0.77 PDE1A (0.49) NPBWR1PDE1APDE1BPDE1CPKM
SCHEMBL28669329 0.76 NPBWR1 (0.60) NPBWR1PDE1APDE1BPDE1CPKM
SCHEMBL29063749 0.76 NPBWR1 (0.44) NPBWR1PDE1APDE1BPDE1CPKM

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-20210277003-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-09 US disclosed
WO-2019243535-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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-20210277003-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN NPBWR1 4748/4885PDE1A 3760/4885PDE1B 3897/4885

“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.