SCHEMBL9894464

SCHEMBL9894464

CCOC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 8/20 0.77
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
CYP19A1 P11511 1/20 0.43
PTPRC P08575 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPA Q15257 1/20 0.43
NOTUM Q6P988 1/20 0.42
TSPO P30536 1/20 0.41

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
SCHEMBL1437142 0.94 MDM2 (0.68) MDM2GABRA2GABRB2NPSR1ALDH1A1
SCHEMBL9893873 0.94 MDM2 (0.68) MDM2GABRA2GABRB2NPSR1ALDH1A1
SCHEMBL9894477 0.93 MDM2 (0.77) MDM2GABRA2GABRB2NPSR1ALDH1A1
SCHEMBL1437371 0.92 MDM2 (0.66) MDM2GABRA2GABRB2NPSR1ALDH1A1
SCHEMBL1437313 0.90 MDM2 (0.63) MDM2GABRA2GABRB2NPSR1ALDH1A1
SCHEMBL1437196 0.90 MDM2 (0.63) MDM2GABRA2GABRB2NPSR1ALDH1A1
SCHEMBL1438098 0.90 MDM2 (0.62) MDM2GABRA2GABRB2NPSR1ALDH1A1
SCHEMBL1437232 0.89 MDM2 (0.61) MDM2GABRA2GABRB2NPSR1MAPT
SCHEMBL1437527 0.89 MDM2 (0.61) MDM2GABRA2GABRB2NPSR1ALDH1A1
SCHEMBL1436899 0.88 MDM2 (0.60) MDM2GABRA2GABRB2NPSR1ALDH1A1

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.