SCHEMBL27249587

SCHEMBL27249587

Cn1cnc2c(C(N)=O)cccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.47
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
AURKB Q96GD4 1/20 0.45
SYK P43405 1/20 0.44
DPP4 P27487 1/20 0.42
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL15808993 0.85 EGLN1 (0.43) SYKDPP4KDM4EL3MBTL1
SCHEMBL18038113 0.83 EGLN1 (0.48) AURKARPS6KB1AURKBSYKDPP4
SCHEMBL16497015 0.81 PARP1 (0.49) PARP1AURKARPS6KB1KDM4EL3MBTL1
SCHEMBL3072756 0.81 NR4A2 (0.49) PKN1PKN2KDM4E
SCHEMBL19857564 0.80 PARP1 (0.46) PARP1PKN1PKN2KDM4EL3MBTL1
SCHEMBL12226875 0.77 TSHR (0.51) KDM4E
SCHEMBL21955797 0.77 PARP1 (0.51) PARP1AURKBKDM4EL3MBTL1
SCHEMBL1290332 0.76 PARP1 (0.47) PARP1AURKARPS6KB1AURKBKDM4E
SCHEMBL29829372 0.76 PI4KA (0.47) PARP1AURKARPS6KB1
SCHEMBL29830227 0.75 HPGD (0.48) PARP1

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 PARP1 1134/4885AURKA 2671/4885RPS6KB1 614/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD PARP1 861/4885AURKA 2197/4885RPS6KB1 502/4885

“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.