SCHEMBL6638558

SCHEMBL6638558

Nc1cc(-c2cc(-c3ccnc(N)n3)ccc2O)nc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.50
CDK1 P06493 9/20 0.49
CDK2 P24941 8/20 0.49
CDK5 Q00535 4/20 0.48
CDK5R1 Q15078 4/20 0.48
PRKACA P17612 4/20 0.45
AURKA O14965 2/20 0.45
HSP90AA1 P07900 2/20 0.45
ADORA2A P29274 1/20 0.45
PDPK1 O15530 2/20 0.45
CHUK O15111 1/20 0.45
RPS6KB1 P23443 1/20 0.45
KDR P35968 1/20 0.45
TGFBR1 P36897 1/20 0.45
SYK P43405 1/20 0.45
JAK3 P52333 1/20 0.45
ROCK1 Q13464 1/20 0.45
AURKB Q96GD4 1/20 0.45
MAP3K5 Q99683 1/20 0.45
DYRK1A Q13627 2/20 0.43

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
SCHEMBL6638867 0.90 CDK1 (0.58) KMOCDK1CDK2CDK5CDK5R1
SCHEMBL7118870 0.87 CDK1 (0.48) KMOCDK1CDK2CDK5CDK5R1
SCHEMBL6643177 0.86 KMO (0.55) KMOCDK1CDK2CDK5CDK5R1
SCHEMBL6640518 0.86 CDK1 (0.51) KMOCDK1CDK2CDK5CDK5R1
SCHEMBL6642591 0.83 CDK1 (0.50) KMOCDK1CDK2CDK5CDK5R1
SCHEMBL6641629 0.83 CDK1 (0.50) KMOCDK1CDK2CDK5CDK5R1
SCHEMBL6640464 0.83 NPC1 (0.48) KMOCDK1CDK2CDK5CDK5R1
SCHEMBL6638108 0.81 CDK1 (0.52) KMOCDK1CDK2CDK5CDK5R1
SCHEMBL6640763 0.81 NPC1 (0.46) CDK1CDK2DYRK1AMAPK10MAPT
SCHEMBL6638621 0.79 CDK1 (0.53) KMOCDK1CDK2CDK5CDK5R1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412327-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG Biomedical Institute (US) 2004-04-28 EP claimed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 US claimed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 WO claimed
EP-1412327-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG Biomedical Institute (US) 2004-04-28 EP disclosed
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 US disclosed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 US disclosed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 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-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 KMO 881/4885CDK1 82/4885CDK2 84/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 KMO 881/4885CDK1 82/4885CDK2 84/4885

“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.