SCHEMBL6325335

SCHEMBL6325335

O=C1NC(=O)C(c2c[nH]c3cccc(F)c23)=C1c1cn2c3c(cccc13)CCC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPA1 O60313 1/20 0.48
EIF5B O60841 1/20 0.48
MET P08581 1/20 0.48
HMOX2 P30519 1/20 0.48
CDK4 P11802 3/20 0.48
CCND1 P24385 3/20 0.48
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
GSK3A P49840 14/20 0.44
GSK3B P49841 14/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 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
SCHEMBL224940 0.87 CDK4 (0.61) OPA1EIF5BMETHMOX2CDK4
SCHEMBL6332914 0.86 CDK4 (0.54) OPA1EIF5BMETHMOX2CDK4
SCHEMBL6325230 0.84 CDK4 (0.54) OPA1EIF5BMETHMOX2CDK4
SCHEMBL6329959 0.84 CDK4 (0.60) OPA1EIF5BMETHMOX2CDK4
SCHEMBL6332262 0.83 CDK4 (0.68) OPA1EIF5BMETHMOX2CDK4
SCHEMBL6327738 0.82 CDK4 (0.46) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6324920 0.81 CDK4 (0.67) OPA1EIF5BMETHMOX2CDK4
SCHEMBL6334166 0.81 CDK4 (0.59) OPA1EIF5BMETHMOX2CDK4
SCHEMBL2881681 0.80 CDK4 (0.54) OPA1EIF5BMETHMOX2CDK4
SCHEMBL2343710 0.80 CDK4 (0.63) OPA1EIF5BMETHMOX2CDK4

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
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
US-6743785-B2 KINASE INHIBITORS; ANNULATED PYRROLE AND INDOLE RINGS; PYRROLO (3,2,1-HI)INDOLES; 3-(5,5-DIMETHYL-5,6-DIHYDRO-4H-PYRROLO (3,2,1-IJ)QUINOLIN-1-YL)-4-(1,2,3,4-TETRAHYDRO-(1,4) DIAZEPINO(6,7,1-HI)INDOL-7-YL)-PYRROLE-2,5-DIONE ELI LILLY AND COMPANY 2004-06-01 US disclosed
EP-1250334-B1 Medicaments useful for the treatment of proliferative diseases LILLY CO ELI (US) 2004-05-19 EP disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 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-20030092676-A1 Agents and method for the treatment of proliferative diseases MKI67, CDKN1A, CDK4 OPA1 1919/4885EIF5B 1203/4885MET 509/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 OPA1 1798/4885EIF5B 1247/4885MET 434/4885

“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.