SCHEMBL27249798

SCHEMBL27249798

Cn1cc(C(=O)CN)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
LMNA P02545 2/20 0.71
MITF O75030 1/20 0.71
MAPT P10636 1/20 0.71
KMT2A Q03164 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
NR4A2 P43354 1/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
IDO1 P14902 1/20 0.51
HTR2A P28223 1/20 0.50

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
SCHEMBL4106159 0.85 KMT2A (0.73) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL21282646 0.83 LMNA (0.71) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL14745414 0.83 LMNA (0.71) ALDH1A1LMNAMITFMAPTKMT2A
Benzene SCHEMBL5539349 0.82 LMNA (0.97) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL2174829 0.81 NR4A2 (0.65) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL15902449 0.81 LMNA (1.00) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL11227116 0.81 LMNA (0.68) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL27249799 0.81 LMNA (0.68) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL6586386 0.80 NR4A2 (0.64) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL20838602 0.80 ALDH1A1 (0.66) ALDH1A1LMNAMITFMAPTKMT2A

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 4 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

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 1786/4885LMNA 3697/4885MITF 524/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD ALDH1A1 1619/4885LMNA 2678/4885MITF 545/4885

“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.