SCHEMBL29336243

SCHEMBL29336243

c1cc(CN2CCOCC2)c2nc[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
CYP2A13 Q16696 6/20 0.49
CXCR4 P61073 1/20 0.46
HPGD P15428 1/20 0.45
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
METAP2 P50579 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL29336273 0.82 MAPT (0.49) HTR1AHTR1DHTR1BDRD2DRD4
SCHEMBL2491351 0.77 CYP2A13 (0.49) CYP2A13CXCR4HPGDCYP2C9ALOX15
SCHEMBL16178358 0.76 CYP2A13 (0.48) CYP2A13CXCR4HPGDCYP2C9ALOX15
SCHEMBL8262966 0.75 DHODH (0.53) CYP2A13CXCR4HPGDCYP2C9ALOX15
SCHEMBL23122595 0.75 DRD2 (0.59) HTR1ADRD2DRD4DRD3HPGD
SCHEMBL23432525 0.74 GAA (0.52) DRD2DRD4DRD3CYP2A13CYP2C9
SCHEMBL3823364 0.73 PARP1 (0.46) HTR1AHTR1DHTR1BDRD2DRD4
SCHEMBL11193326 0.72 CYP2A13 (0.75) CYP2A13CXCR4CYP2C9ALOX15HSD17B10
SCHEMBL556764 0.71 PARP1 (0.51) HTR1ADRD2DRD4DRD3HPGD
SCHEMBL23123879 0.70 HTR1A (0.46) HTR1AHTR1DHTR1BDRD2DRD4

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 HTR1A 4036/4885HTR1D 3053/4885HTR1B 3720/4885

“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.