SCHEMBL9893685

SCHEMBL9893685

Cc1ccc(Cl)cc1-n1c(CC(C)(C)C)nc(C(N)=O)c1-c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.61
IKBKB O14920 1/20 0.39
JAK2 O60674 5/20 0.39
JAK1 P23458 2/20 0.37
PTPN11 Q06124 1/20 0.36
TYK2 P29597 1/20 0.36
PARP1 P09874 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
GRM5 P41594 1/20 0.35
CNR2 P34972 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
PIN1 Q13526 1/20 0.35
GRM2 Q14416 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
SCHEMBL9893688 0.91 MDM2 (0.75) MDM2TP53POLBMAPTGRM5
SCHEMBL1436802 0.87 MDM2 (0.48) MDM2JAK2JAK1MAPTCNR2
SCHEMBL9894878 0.87 MDM2 (0.58) MDM2JAK2MAPT
SCHEMBL9893748 0.87 MDM2 (0.57) MDM2GRM5CNR2PDE4BPDE4D
SCHEMBL9894396 0.86 MDM2 (0.52) MDM2IKBKBPTPN11PARP1TP53
SCHEMBL1438018 0.85 MDM2 (0.83) MDM2IKBKBJAK2JAK1PTPN11
SCHEMBL1437101 0.83 MDM2 (0.82) MDM2IKBKBJAK2JAK1PTPN11
SCHEMBL6951731 0.82 MDM2 (0.71) MDM2IKBKBJAK2JAK1PTPN11
SCHEMBL1436894 0.82 MDM2 (0.40) MDM2JAK2TP53MAPT
SCHEMBL1437240 0.78 MDM2 (0.59) MDM2TP53POLBMAPTCNR2

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 2/4885IKBKB 770/4885JAK2 3105/4885

“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.