SCHEMBL9893745

SCHEMBL9893745

CCNC(=O)c1nc(CC(C)C)n(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.48
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
PDE4B Q07343 6/20 0.41
PDE4D Q08499 5/20 0.41
PDE4A P27815 4/20 0.41
PDE4C Q08493 4/20 0.41
NUDT1 P36639 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 2/20 0.38
GRM5 P41594 1/20 0.38
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
VEGFA P15692 1/20 0.37
FLT1 P17948 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37

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
SCHEMBL9894023 0.90 MDM2 (0.50) MDM2DRD1DRD5PDE4BPDE4D
SCHEMBL9894249 0.86 MDM2 (0.65) MDM2DRD1DRD5MEN1KMT2A
SCHEMBL9893897 0.86 MDM2 (0.48) MDM2PDE4BPDE4DPDE4APDE4C
SCHEMBL9894152 0.85 PDE4B (0.41) MDM2DRD1DRD5PDE4BPDE4D
SCHEMBL9893913 0.84 MDM2 (0.51) MDM2DRD1DRD5GABRA2GABRB2
SCHEMBL9893850 0.80 PDE4B (0.45) MDM2PDE4BPDE4DPDE4APDE4C
SCHEMBL1437279 0.75 MDM2 (0.40) MDM2DRD1DRD5PDE4BPDE4D
SCHEMBL1437088 0.75 MDM2 (0.56) MDM2MEN1KMT2AGRM5GABRA2
SCHEMBL9893748 0.74 MDM2 (0.57) MDM2PDE4BPDE4DPDE4APDE4C
SCHEMBL23806545 0.73 MDM2 (0.76) MDM2PDE4BPDE4DPDE4APDE4C

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 2/4885DRD1 2409/4885DRD5 2477/4885

“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.