SCHEMBL6325230

SCHEMBL6325230

O=C1NC(=O)C(c2cn3c4c(cccc24)CCC3)=C1c1c[nH]c2cc(Cl)c(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.54
CCND1 P24385 5/20 0.54
PRKACA P17612 2/20 0.49
PRKACG P22612 2/20 0.49
PRKACB P22694 2/20 0.49
OPA1 O60313 1/20 0.44
EIF5B O60841 1/20 0.44
MET P08581 1/20 0.44
HMOX2 P30519 1/20 0.44
GSK3A P49840 14/20 0.42
GSK3B P49841 14/20 0.42
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 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
SCHEMBL6332914 0.93 CDK4 (0.54) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6332262 0.87 CDK4 (0.68) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6326531 0.87 CDK4 (0.56) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL224940 0.84 CDK4 (0.61) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6324920 0.84 CDK4 (0.67) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6325335 0.84 OPA1 (0.48) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6334166 0.84 CDK4 (0.59) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6329364 0.83 CDK4 (0.66) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL1395823 0.83 CAMK2D (0.56) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6327465 0.83 CDK4 (0.56) CDK4CCND1PRKACAPRKACGPRKACB

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 4 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
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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 (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 70/4885PRKACA 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.