SCHEMBL9894052

SCHEMBL9894052

O=C(O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 1.00
PKM P14618 1/20 0.50
PIN1 Q13526 1/20 0.50
NOTUM Q6P988 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
TP53 P04637 1/20 0.43
KMO O15229 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL1438067 0.95 MDM2 (0.90) MDM2PKMPIN1NOTUMKDM4E
SCHEMBL1437054 0.92 MDM2 (0.85) MDM2PKMPIN1KDM4EGAA
SCHEMBL9893921 0.91 MDM2 (0.84) MDM2PKMPIN1NOTUMKDM4E
SCHEMBL1443375 0.90 MDM2 (0.82) MDM2PKMPIN1NOTUMKDM4E
SCHEMBL1437063 0.90 MDM2 (0.82) MDM2PKMPIN1NOTUMKDM4E
SCHEMBL1437150 0.88 MDM2 (0.78) MDM2PKMPIN1NOTUMKDM4E
SCHEMBL9893773 0.86 MDM2 (0.76) MDM2PKMPIN1NOTUMKDM4E
SCHEMBL1443240 0.85 MDM2 (1.00) MDM2PKMPIN1NOTUMKDM4E
SCHEMBL9893742 0.84 MDM2 (0.72) MDM2LMNAHTTGABRA2GABRB2
SCHEMBL1442682 0.84 MDM2 (0.72) MDM2PKMPIN1NOTUMKDM4E

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 2/4885PKM 2050/4885PIN1 844/4885

“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.