SCHEMBL1443243

SCHEMBL1443243

CCOC(=O)c1nc(C2CCCN(C(=O)OCc3ccccc3)C2)n(-c2cc(Cl)ccc2C)c1-c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.49
BCL9 O00512 5/20 0.40
CTNNB1 P35222 5/20 0.40
TRPC3 Q13507 1/20 0.39
TRPC7 Q9HCX4 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PDE4B Q07343 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL9894410 0.88 BCL9 (0.40) MDM2BCL9CTNNB1TRPC3TRPC7
SCHEMBL1437712 0.86 MDM2 (0.51) MDM2GABRA2GABRB2TP53MAPT
SCHEMBL1437051 0.85 MDM2 (0.56) MDM2GABRA2GABRB2PDE4B
SCHEMBL1440277 0.82 GABRA2 (0.47) BCL9CTNNB1TRPC3TRPC7GABRA2
SCHEMBL27862796 0.81 MDM2 (0.46) MDM2GABRA2GABRB2
SCHEMBL9893978 0.81 MDM2 (0.51) MDM2GABRA2GABRB2JAK2JAK3
SCHEMBL9893892 0.79 MDM2 (0.78) MDM2GABRA2GABRB2MAPTLMNA
SCHEMBL1440032 0.78 MDM2 (0.62) MDM2TP53MAPTPDE4B
SCHEMBL1437160 0.75 MDM2 (0.59) MDM2GABRA2GABRB2MAPT
Lithium SCHEMBL9893840 0.75 MDM2 (0.68) MDM2CNR2TP53MAPTPDE4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470502-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS Novartis AG (CH) 2012-07-04 EP 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
WO-2011023677-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2011-03-03 WO 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 2/4885BCL9 623/4885CTNNB1 1112/4885

“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.