SCHEMBL29337474

SCHEMBL29337474

CCN(CCO)c1cccc2[nH]cnc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
BRD4 O60885 2/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
SLC29A1 Q99808 1/20 0.36
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
DPP4 P27487 1/20 0.34
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL29907275 0.84 PARP1 (0.43) PARP1ALDH1A1PKMBRD4MEN1
SCHEMBL27146952 0.84 PARP1 (0.43) PARP1ALDH1A1PKMBRD4MEN1
SCHEMBL29907247 0.77 BRD4 (0.42) PARP1ALDH1A1PKMBRD4DRD4
SCHEMBL27143088 0.77 BRD4 (0.42) PARP1ALDH1A1PKMBRD4DRD4
SCHEMBL21994232 0.75 PARP1 (0.40) PARP1ALDH1A1PKMBRD4DPP4
SCHEMBL29336567 0.74 BRD4 (0.40) PARP1ALDH1A1PKMBRD4DRD4
SCHEMBL7032511 0.74 PARP1 (0.47) PARP1ALDH1A1PKMBRD4
SCHEMBL27250126 0.71 DPP4 (0.38) ALDH1A1STK4STK3SLC29A1MEN1
SCHEMBL7031817 0.71 PARP1 (0.43) PARP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL21748422 0.71 KMT2A (0.41) ALDH1A1PKMBRD4STK4STK3

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 PARP1 1134/4885ALDH1A1 1786/4885PKM 2457/4885

“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.