SCHEMBL9894396

SCHEMBL9894396

CC(C)(C)Cc1nc(C(N)=O)c(-c2cccc(Cl)c2)n1-c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.52
IKBKB O14920 1/20 0.43
MAPT P10636 3/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
PTPN11 Q06124 1/20 0.39
PARP1 P09874 2/20 0.38
PKM P14618 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4B Q07343 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

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
Lithium SCHEMBL9893816 0.89 MDM2 (0.64) MDM2PKMGABRA2GABRB2
SCHEMBL9893814 0.89 MDM2 (0.64) MDM2PKMGABRA2GABRB2
Lithium Ion SCHEMBL9893815 0.88 MDM2 (0.51) MDM2PKMPDE4BGABRA2GABRB2
SCHEMBL9893685 0.86 MDM2 (0.61) MDM2IKBKBMAPTTP53PTPN11
SCHEMBL9893786 0.85 MDM2 (0.51) MDM2HTTCYP3A4CYP2C19GABRA2
SCHEMBL9893897 0.85 MDM2 (0.48) MDM2PDE4BGABRA2GABRB2
SCHEMBL9894113 0.83 MDM2 (0.57) MDM2PKMGABRA2GABRB2
SCHEMBL9893969 0.79 GABRA2 (0.47) MDM2MAPK1GABRA2GABRB2NPC1
SCHEMBL9893850 0.79 PDE4B (0.45) MDM2PDE4B
SCHEMBL1436932 0.79 MDM2 (0.61) MDM2MAPT

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 770/4885MAPT 582/4885

“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.