SCHEMBL9894039

SCHEMBL9894039

Cc1ccc(Cl)cc1-n1c(C2CCCNC2)nc(C(=O)O)c1-c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.62
PIN1 Q13526 1/20 0.39
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 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
SCHEMBL9893978 0.89 MDM2 (0.51) MDM2
SCHEMBL9893838 0.88 MDM2 (0.68) MDM2PIN1PDE4BPDE4DTP53
Lithium SCHEMBL9893840 0.88 MDM2 (0.68) MDM2PIN1PDE4BPDE4DTP53
Acetamide SCHEMBL27862825 0.86 MDM2 (0.64) MDM2PIN1PDE4BPDE4DTP53
SCHEMBL1440032 0.84 MDM2 (0.62) MDM2PIN1PDE4BPDE4DTP53
SCHEMBL27862796 0.83 MDM2 (0.46) MDM2
SCHEMBL9893915 0.81 MDM2 (0.62) MDM2PDE4BPDE4DTP53MAPT
Lithium Ion SCHEMBL9893839 0.80 MDM2 (0.56) MDM2PDE4BPDE4DTP53MAPT
SCHEMBL1437051 0.78 MDM2 (0.56) MDM2PDE4BPDE4D
SCHEMBL1443425 0.78 MDM2 (1.00) MDM2PIN1TP53

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 2/4885PIN1 844/4885PDE4B 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.