SCHEMBL9893656

SCHEMBL9893656

NNC(=O)c1nc(-c2ccsc2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 10/20 0.63
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
GRM5 P41594 1/20 0.36
CHRNA7 P36544 1/20 0.35
NOTUM Q6P988 1/20 0.35
ABL1 P00519 1/20 0.35
TDP2 O95551 1/20 0.35
RIPK1 Q13546 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL9894004 0.92 MDM2 (0.67) MDM2NOTUMABL1TDP2
SCHEMBL9893845 0.90 MDM2 (0.79) MDM2NOTUM
SCHEMBL9894099 0.89 MDM2 (0.59) MDM2GRM5CHRNA7NOTUMABL1
SCHEMBL9893721 0.88 MDM2 (0.80) MDM2CNR1CNR2GRM5CHRNA7
SCHEMBL1437232 0.85 MDM2 (0.61) MDM2
SCHEMBL27862822 0.80 MDM2 (0.52) MDM2NOTUMTDP2DRD2DRD3
SCHEMBL27862926 0.80 MDM2 (0.54) MDM2NOTUM
SCHEMBL9894128 0.79 MDM2 (0.85) MDM2NOTUMRIPK1
SCHEMBL9893680 0.79 MDM2 (0.52) MDM2NOTUMTDP2
SCHEMBL9893686 0.78 MDM2 (0.83) MDM2CNR2PDE4BPDE4D

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 2/4885CNR1 2104/4885CNR2 3405/4885

“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.