SCHEMBL9893974

SCHEMBL9893974

CCOC(=O)c1nc(-c2ccccn2)n(-c2cc(Cl)ccc2C)c1-c1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.63
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
ELANE P08246 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL9893892 0.89 MDM2 (0.78) MDM2GABRA2GABRB2ELANETRPM8
SCHEMBL9893992 0.89 MDM2 (0.62) MDM2GABRA2GABRB2ELANETRPM8
SCHEMBL1437217 0.89 MDM2 (0.80) MDM2NPC1RAB9APDE4BPDE4D
SCHEMBL9893718 0.86 MDM2 (0.45) MDM2GABRA2GABRB2ELANEMEN1
SCHEMBL9893673 0.85 MDM2 (0.69) MDM2GABRA2GABRB2ELANETRPM8
SCHEMBL9893837 0.85 MDM2 (0.77) MDM2GABRA2GABRB2ELANETRPM8
SCHEMBL1438083 0.85 MDM2 (0.44) MDM2GABRA2GABRB2MEN1NPC1
SCHEMBL9893895 0.85 MDM2 (0.67) MDM2GABRA2GABRB2ELANETRPM8
SCHEMBL9893991 0.84 MDM2 (0.64) MDM2GABRA2GABRB2TRPM8MEN1
SCHEMBL1437102 0.82 MDM2 (0.64) MDM2GABRA2GABRB2TRPM8MAPT

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 2/4885GABRA2 4293/4885GABRB2 4278/4885

“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.