SCHEMBL6637656

SCHEMBL6637656

Nc1nccc(-c2cc(-c3ccncc3)ccc2O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 9/20 0.52
CDK2 P24941 9/20 0.52
CDK5 Q00535 4/20 0.49
CDK5R1 Q15078 4/20 0.49
QDPR P09417 1/20 0.49
CHUK O15111 1/20 0.48
KMO O15229 1/20 0.44
PRKACA P17612 4/20 0.44
GSK3B P49841 4/20 0.44
CCNB2 O95067 3/20 0.44
CCNB1 P14635 3/20 0.44
PRKACG P22612 3/20 0.44
PRKACB P22694 3/20 0.44
CCNB3 Q8WWL7 3/20 0.44
CSNK1A1 P48729 2/20 0.44
CSNK1D P48730 2/20 0.44
CSNK1E P49674 2/20 0.44
CSNK1G2 P78368 2/20 0.44
CSNK1G1 Q9HCP0 2/20 0.44
CCNE2 O96020 1/20 0.44

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
SCHEMBL6638621 0.90 CDK1 (0.53) CDK1CDK2CDK5CDK5R1KMO
SCHEMBL6638108 0.88 CDK1 (0.52) CDK1CDK2CDK5CDK5R1KMO
SCHEMBL6638867 0.88 CDK1 (0.58) CDK1CDK2CDK5CDK5R1CHUK
SCHEMBL6642317 0.85 CDK2 (0.52) CDK1CDK2CDK5CDK5R1KMO
SCHEMBL7118368 0.84 CDK1 (0.51) CDK1CDK2CDK5CDK5R1KMO
SCHEMBL6644090 0.83 HSP90AA1 (0.62) CDK1CDK2CDK5CDK5R1PRKACA
SCHEMBL6643442 0.83 CDK2 (0.50) CDK1CDK2CDK5CDK5R1KMO
SCHEMBL6642333 0.83 CDK2 (0.53) CDK1CDK2CDK5CDK5R1KMO
SCHEMBL20798620 0.82 PRKACA (0.46) CDK1CDK2CDK5CDK5R1KMO
SCHEMBL5803933 0.80 CDK1 (0.58) CDK1CDK2CDK5CDK5R1KMO

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
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
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

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 CDK1 82/4885CDK2 84/4885CDK5 128/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 CDK1 82/4885CDK2 84/4885CDK5 128/4885

“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.