SCHEMBL9894023

SCHEMBL9894023

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.50
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
GRM5 P41594 1/20 0.39
CNR2 P34972 4/20 0.38
PDE4B Q07343 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
VEGFA P15692 1/20 0.38
FLT1 P17948 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
CNR1 P21554 2/20 0.37
NUDT1 P36639 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9893745 0.90 MDM2 (0.48) MDM2DRD1DRD5GRM5CNR2
SCHEMBL9894249 0.88 MDM2 (0.65) MDM2DRD1DRD5GABRA2GABRB2
SCHEMBL1437088 0.85 MDM2 (0.56) MDM2GRM5CYP3A4CYP2C19GABRA2
SCHEMBL1437279 0.85 MDM2 (0.40) MDM2DRD1DRD5CNR2PDE4B
SCHEMBL9893913 0.83 MDM2 (0.51) MDM2DRD1DRD5GABRA2GABRB2
SCHEMBL9893773 0.81 MDM2 (0.76) MDM2GRM5CNR2NUDT1GABRA2
SCHEMBL1437085 0.78 MDM2 (0.43) MDM2DRD1DRD5GRM5CNR2
SCHEMBL1438008 0.77 MDM2 (0.69) MDM2NUDT1GABRA2GABRB2MEN1
SCHEMBL1437159 0.77 MDM2 (0.61) MDM2GRM5CNR2PDE4BPDE4A
SCHEMBL9894152 0.75 PDE4B (0.41) MDM2DRD1DRD5CNR2PDE4B

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.