SCHEMBL27249698

SCHEMBL27249698

Cn1cc(C(=O)N2CCCC2)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.62
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
GFER P55789 2/20 0.58
HDAC6 Q9UBN7 2/20 0.57
HDAC1 Q13547 1/20 0.57
POLB P06746 2/20 0.56
NR4A2 P43354 1/20 0.56
TPSAB1 Q15661 1/20 0.56
HCRTR1 O43613 1/20 0.56
MITF O75030 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HTT P42858 1/20 0.55
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL3457429 0.98 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL3456294 0.89 CNR1 (0.60) ALDH1A1SMN1; SMN2L3MBTL1KMT2AGFER
SCHEMBL23940225 0.88 HDAC6 (0.56) ALDH1A1SMN1; SMN2KMT2AHDAC6HDAC1
SCHEMBL27249746 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL27249727 0.87 HDAC6 (0.54) ALDH1A1SMN1; SMN2L3MBTL1KMT2AGFER
SCHEMBL23940212 0.85 TPSAB1 (0.60) ALDH1A1SMN1; SMN2KMT2AGFERHDAC6
SCHEMBL27249754 0.84 TPSAB1 (0.62) GFERHDAC6HDAC1POLBNR4A2
SCHEMBL27249546 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2L3MBTL1KMT2AGFER
SCHEMBL27249485 0.84 GFER (0.64) ALDH1A1SMN1; SMN2L3MBTL1GFERHDAC6
SCHEMBL27249737 0.84 GFER (0.64) ALDH1A1SMN1; SMN2L3MBTL1GFERHDAC6

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 1786/4885SMN1; SMN2 3303/4885L3MBTL1 2913/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD ALDH1A1 1619/4885SMN1; SMN2 3097/4885L3MBTL1 2973/4885

“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.