SCHEMBL6328569

SCHEMBL6328569

N#Cc1cccc2c(C3=C(c4cn5c6c(cccc46)CCC5)C(=O)NC3=O)c[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.46
GSK3A P49840 14/20 0.46
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
OPA1 O60313 1/20 0.42
EIF5B O60841 1/20 0.42
MET P08581 1/20 0.42
HMOX2 P30519 1/20 0.42
PRKCB P05771 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40

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
SCHEMBL6329443 0.83 CDK4 (0.51) GSK3BGSK3ACDK4CCND1OPA1
SCHEMBL224940 0.83 CDK4 (0.61) GSK3BGSK3ACDK4CCND1OPA1
SCHEMBL6327473 0.81 GSK3B (0.44) GSK3BGSK3ACDK4CCND1OPA1
SCHEMBL6334388 0.80 GSK3B (0.45) GSK3BGSK3ACDK4CCND1
SCHEMBL6329959 0.80 CDK4 (0.60) GSK3BGSK3ACDK4CCND1OPA1
SCHEMBL6324892 0.79 CDK4 (0.44) GSK3BGSK3ACDK4CCND1OPA1
SCHEMBL6332914 0.78 CDK4 (0.54) GSK3BGSK3ACDK4CCND1OPA1
SCHEMBL1395873 0.78 GSK3B (0.52) GSK3BGSK3APRKCB
SCHEMBL1395823 0.78 CAMK2D (0.56) GSK3BGSK3ACDK4CCND1OPA1
SCHEMBL6332262 0.78 CDK4 (0.68) GSK3BGSK3ACDK4CCND1OPA1

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 GSK3B 668/4885GSK3A 632/4885CDK4 5/4885

“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.