SCHEMBL9893713

SCHEMBL9893713

COC(=O)c1cc(Cl)cc(-c2c(C#N)nc(-c3ccccc3)n2-c2cccc(Cl)c2F)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.54
NOTUM Q6P988 1/20 0.37
RIPK1 Q13546 1/20 0.37
ACLY P53396 3/20 0.37
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 1/20 0.36
TBXA2R P21731 1/20 0.36
MAPK14 Q16539 2/20 0.36
PLA2G2A P14555 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTSA P10619 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
SCHEMBL1437227 0.82 MDM2 (0.67) MDM2NOTUMALDH1A1HPGD
SCHEMBL9894537 0.79 MDM2 (0.68) MDM2NOTUM
SCHEMBL27862801 0.78 MDM2 (0.78) MDM2NOTUMRIPK1PLA2G2A
SCHEMBL9894216 0.76 MDM2 (0.50) MDM2HPGDCTSA
SCHEMBL9893712 0.75 MDM2 (0.55) MDM2NOTUMHPGDNPSR1
SCHEMBL1437320 0.73 MDM2 (0.59) MDM2NOTUM
SCHEMBL9894477 0.72 MDM2 (0.77) MDM2NOTUMALDH1A1NPSR1
SCHEMBL9894082 0.72 MDM2 (0.51) MDM2NOTUMALDH1A1HPGD
SCHEMBL1443240 0.71 MDM2 (1.00) MDM2NOTUMRIPK1
SCHEMBL1436964 0.71 MDM2 (0.50) MDM2RIPK1

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 2/4885NOTUM 4675/4885RIPK1 2376/4885

“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.