SCHEMBL9893686

SCHEMBL9893686

NNC(=O)c1nc(C2CCCCC2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 11/20 0.83
PDE4B Q07343 3/20 0.39
PDE4D Q08499 3/20 0.39
CNR2 P34972 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
MAPK1 P28482 1/20 0.36
MCHR1 Q99705 1/20 0.35
PIK3R2 O00459 1/20 0.35

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
SCHEMBL1437212 0.91 MDM2 (1.00) MDM2PDE4BPDE4DPIK3R2
SCHEMBL9893723 0.89 MDM2 (1.00) MDM2PDE4BPDE4D
SCHEMBL27862848 0.88 MDM2 (0.80) MDM2PDE4BPDE4DCNR2
SCHEMBL27862912 0.86 MDM2 (0.78) MDM2PDE4BPDE4DCNR2
SCHEMBL9893743 0.85 MDM2 (0.76) MDM2
SCHEMBL9893721 0.83 MDM2 (0.80) MDM2CNR2
SCHEMBL1440035 0.83 MDM2 (0.72) MDM2PDE4BPDE4D
SCHEMBL1437674 0.82 MDM2 (0.74) MDM2PDE4BPDE4D
SCHEMBL27879137 0.80 MDM2 (0.76) MDM2PIK3R2
SCHEMBL9894042 0.80 MDM2 (0.82) MDM2PDE4BPDE4DMAPK1

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
CN-102574785-A Tetra-substituted heteroaryl compounds and their use as MDM2 and/or MDM4 modulators NOVARTIS AG 2012-07-11 CN disclosed
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 2/4885PDE4B 3755/4885PDE4D 3804/4885

“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.