SCHEMBL9893850

SCHEMBL9893850

CCNC(=O)c1nc(CC(C)(C)C)n(-c2ccc(Cl)cc2)c1-c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.45
PDE4D Q08499 6/20 0.45
PDE4A P27815 4/20 0.45
PDE4C Q08493 4/20 0.45
MDM2 Q00987 4/20 0.43
CNR2 P34972 5/20 0.41
NUDT1 P36639 1/20 0.39
GRM5 P41594 1/20 0.39
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 3/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 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
SCHEMBL9893897 0.94 MDM2 (0.48) PDE4BPDE4DPDE4APDE4CMDM2
SCHEMBL9893748 0.88 MDM2 (0.57) PDE4BPDE4DPDE4APDE4CMDM2
SCHEMBL9894113 0.87 MDM2 (0.57) MDM2CNR2GRM5CNR1
SCHEMBL9893969 0.84 GABRA2 (0.47) MDM2CNR2CNR1
SCHEMBL9893745 0.80 MDM2 (0.48) PDE4BPDE4DPDE4APDE4CMDM2
SCHEMBL9894396 0.79 MDM2 (0.52) PDE4BMDM2
SCHEMBL9893814 0.79 MDM2 (0.64) MDM2GRM5
Lithium SCHEMBL9893816 0.79 MDM2 (0.64) MDM2GRM5
Lithium Ion SCHEMBL9893815 0.79 MDM2 (0.51) PDE4BPDE4DPDE4APDE4CMDM2
SCHEMBL9893786 0.78 MDM2 (0.51) 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 PDE4B 3755/4885PDE4D 3804/4885PDE4A 3278/4885

“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.