SCHEMBL9893683

SCHEMBL9893683

O=C(O)c1nc(CC2CCCCC2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 13/20 0.73
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
NOTUM Q6P988 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
MCHR1 Q99705 1/20 0.36
PDE4B Q07343 1/20 0.35
PDE4D Q08499 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
SCHEMBL1438218 0.99 MDM2 (0.71) MDM2KCNJ6KCNJ5KCNJ3NOTUM
SCHEMBL1436934 0.93 MDM2 (0.73) MDM2KCNJ6KCNJ5KCNJ3DRD1
SCHEMBL1437289 0.92 MDM2 (0.71) MDM2KCNJ6KCNJ5KCNJ3FFAR4
SCHEMBL1437067 0.88 MDM2 (0.57) MDM2PDE4BPDE4D
SCHEMBL9894075 0.87 MDM2 (0.56) MDM2PDE4BPDE4D
SCHEMBL1437606 0.85 MDM2 (0.54) MDM2DRD1DRD5MCHR1
SCHEMBL1437083 0.84 MDM2 (0.69) MDM2NOTUM
SCHEMBL9893723 0.84 MDM2 (1.00) MDM2KCNJ6KCNJ5KCNJ3NOTUM
SCHEMBL1437319 0.83 MDM2 (0.51) MDM2DRD1DRD5MCHR1
SCHEMBL1440143 0.81 MDM2 (0.50) MDM2DRD1DRD5MCHR1

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 2/4885KCNJ6 4775/4885KCNJ5 4772/4885

“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.