SCHEMBL9893757

SCHEMBL9893757

O=C(O)c1nc(-c2ccccc2Cl)n(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1F

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.62
PKM P14618 1/20 0.43
RIPK1 Q13546 2/20 0.41
KMO O15229 2/20 0.41
NOTUM Q6P988 2/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL1442682 0.93 MDM2 (0.72) MDM2PKMRIPK1KMONOTUM
SCHEMBL1437063 0.87 MDM2 (0.82) MDM2PKMNOTUMKMT2AKDM4E
SCHEMBL9893965 0.85 MDM2 (0.48) MDM2RIPK1ALDH1A1
SCHEMBL27862823 0.82 MDM2 (0.56) MDM2RIPK1KMT2AMEN1ALDH1A1
SCHEMBL9894355 0.82 MDM2 (0.56) MDM2RIPK1
SCHEMBL27862830 0.81 MDM2 (0.61) MDM2RIPK1KMONOTUMKMT2A
SCHEMBL1437150 0.81 MDM2 (0.78) MDM2PKMNOTUMKDM4EALDH1A1
SCHEMBL1440068 0.80 MDM2 (0.57) MDM2ALDH1A1
SCHEMBL1437138 0.80 MDM2 (0.51) MDM2PKMRIPK1KMONOTUM
SCHEMBL1437201 0.79 MDM2 (0.53) 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 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 2/4885PKM 2050/4885RIPK1 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.