SCHEMBL9893646

SCHEMBL9893646

CCNC(=O)c1nc(C2CCCCC2)n(-c2cc(Cl)ccc2C)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 12/20 0.58
CNR2 P34972 1/20 0.42
PDE4B Q07343 2/20 0.42
PDE4D Q08499 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
CNR1 P21554 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
SCHEMBL9894130 0.89 MDM2 (0.55) MDM2CNR2PDE4BPDE4DPDE4A
SCHEMBL1437160 0.87 MDM2 (0.59) MDM2
SCHEMBL9894071 0.87 MDM2 (0.73) MDM2CNR2PDE4BPDE4DCNR1
Lithium SCHEMBL9894073 0.87 MDM2 (0.73) MDM2CNR2PDE4BPDE4DCNR1
SCHEMBL9893830 0.87 MDM2 (0.75) MDM2CNR2PDE4BPDE4DCNR1
Lithium Ion SCHEMBL9894072 0.86 MDM2 (0.61) MDM2CNR2PDE4BPDE4DCNR1
Acetamide SCHEMBL27862813 0.85 MDM2 (0.69) MDM2CNR2PDE4BPDE4DCNR1
SCHEMBL1438349 0.79 MDM2 (0.61) MDM2PDE4BPDE4DCNR1
SCHEMBL1437168 0.79 MDM2 (0.65) MDM2
SCHEMBL1438326 0.78 MDM2 (0.67) MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 MDM2 2/4885CNR2 3405/4885PDE4B 3755/4885

“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.