SCHEMBL23940217

SCHEMBL23940217

Cn1nc(C(=O)N2CCOCC2)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
DRD2 P14416 2/20 0.57
HTR2A P28223 2/20 0.57
RBP4 P02753 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PIK3CD O00329 3/20 0.52
PIK3R2 O00459 3/20 0.52
PIK3CA P42336 3/20 0.52
PIK3CB P42338 3/20 0.52
PIK3CG P48736 3/20 0.52
PIK3R5 Q8WYR1 3/20 0.52
PIK3R3 Q92569 3/20 0.52
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL27249759 0.87 MEN1 (0.72) ATML3MBTL1DRD2HTR2ARBP4
SCHEMBL27249712 0.86 DRD2 (0.60) ATML3MBTL1DRD2HTR2ARBP4
SCHEMBL26717871 0.83 RBP4 (0.57) ATML3MBTL1DRD2HTR2ARBP4
SCHEMBL4780580 0.83 RBP4 (0.57) ATML3MBTL1DRD2HTR2ARBP4
SCHEMBL23940218 0.83 ATM (0.58) ATML3MBTL1DRD2HTR2ARBP4
SCHEMBL27249716 0.82 RBP4 (0.65) ATML3MBTL1DRD2HTR2ARBP4
SCHEMBL27249778 0.81 RBP4 (0.57) ATML3MBTL1DRD2HTR2ARBP4
SCHEMBL27249776 0.81 RBP4 (0.55) ATML3MBTL1DRD2HTR2ARBP4
SCHEMBL27249720 0.80 RBP4 (0.59) ATML3MBTL1DRD2HTR2ARBP4
SCHEMBL27249780 0.80 RBP4 (0.59) ATML3MBTL1DRD2HTR2ARBP4

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 5 patents. 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
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 WO disclosed
US-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-21 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 (3 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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS TYK2, JAK3, JAK1 ATM 1846/4885L3MBTL1 4816/4885DRD2 3638/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS ATM 2023/4885L3MBTL1 2913/4885DRD2 1664/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD ATM 2655/4885L3MBTL1 2973/4885DRD2 1801/4885

“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.