SCHEMBL6324892

SCHEMBL6324892

O=C1NC(=O)C(c2cn3c4c(cccc24)CCC3)=C1c1c[nH]c2c(OCc3ccccc3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
GSK3B P49841 10/20 0.42
GSK3A P49840 9/20 0.42
OPA1 O60313 1/20 0.40
EIF5B O60841 1/20 0.40
MET P08581 1/20 0.40
HMOX2 P30519 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
MGLL Q99685 1/20 0.40
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
PRKCB P05771 3/20 0.39
PRKCA P17252 2/20 0.39
PRKCH P24723 2/20 0.39
PRKCE Q02156 2/20 0.39
PRKCQ Q04759 2/20 0.39

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
SCHEMBL9949540 0.84 CDK4 (0.49) CDK4CCND1GSK3BGSK3AOPA1
SCHEMBL1395804 0.82 GSK3B (0.45) GSK3BGSK3AOPA1EIF5BMET
SCHEMBL224940 0.79 CDK4 (0.61) CDK4CCND1GSK3BGSK3AOPA1
SCHEMBL6328569 0.79 GSK3B (0.46) CDK4CCND1GSK3BGSK3AOPA1
SCHEMBL6334388 0.78 GSK3B (0.45) CDK4CCND1GSK3BGSK3A
SCHEMBL6325835 0.77 CDK4 (0.44) CDK4CCND1GSK3BGSK3APRKACA
SCHEMBL6327473 0.77 GSK3B (0.44) CDK4CCND1GSK3BGSK3AOPA1
SCHEMBL9087029 0.77 PRKCB (0.59) CDK4CCND1GSK3BMETPRKACA
SCHEMBL1395873 0.77 GSK3B (0.52) GSK3BGSK3APRKCBPRKCAPRKCE
SCHEMBL6329959 0.77 CDK4 (0.60) CDK4CCND1GSK3BGSK3AOPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 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-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 CDK4 5/4885CCND1 70/4885GSK3B 668/4885

“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.