SCHEMBL29337387

SCHEMBL29337387

CC(C)(C)OC(=O)N1CCN(c2cccc3[nH]cnc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
PARP1 P09874 1/20 0.48
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
MAP4K4 O95819 1/20 0.45
POLB P06746 1/20 0.45
KIT P10721 1/20 0.44
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
BACE1 P56817 2/20 0.44
HTR1A P08908 2/20 0.44
HTR7 P34969 1/20 0.44
LMNA P02545 2/20 0.44
GPR119 Q8TDV5 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1537800 0.96 CKS1B (0.50) DRD2DRD4DRD3PARP1CKS1B
SCHEMBL23123140 0.88 HTR1A (0.50) DRD2DRD4DRD3PARP1BACE1
SCHEMBL23123054 0.86 DRD2 (0.42) DRD2DRD4DRD3PARP1HTR1A
SCHEMBL23123014 0.84 DRD2 (0.56) DRD2DRD4DRD3PARP1HTR1A
SCHEMBL3621236 0.82 POLB (0.52) PARP1CKS1BSKP1SKP2MAP4K4
SCHEMBL23122934 0.81 DRD2 (0.53) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL29907236 0.81 JAK2 (0.52) PARP1GPR119MAPT
SCHEMBL19297242 0.81 JAK2 (0.52) PARP1GPR119MAPT
SCHEMBL10004541 0.80 PARP1 (0.55) PARP1CKS1BSKP1SKP2MAP4K4
SCHEMBL1537805 0.78 CKS1B (0.51) CKS1BSKP1SKP2MAP4K4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 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 (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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS DRD2 1664/4885DRD4 966/4885DRD3 1350/4885

“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.