SCHEMBL1443586

SCHEMBL1443586

CCOC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)c1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 4/20 0.61
GABRB2 P47870 4/20 0.61
MDM2 Q00987 3/20 0.56
ALDH1A1 P00352 1/20 0.51
ELANE P08246 1/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX12 P18054 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL1437229 0.88 MDM2 (0.49) GABRA2GABRB2MDM2ALDH1A1LMNA
SCHEMBL1437723 0.88 GABRA2 (0.50) GABRA2GABRB2MDM2ALDH1A1ELANE
SCHEMBL9893742 0.86 MDM2 (0.72) GABRA2GABRB2MDM2ALDH1A1ELANE
SCHEMBL9893778 0.86 GABRA2 (0.48) GABRA2GABRB2MDM2ALDH1A1ELANE
SCHEMBL1438312 0.85 CYP1A2 (0.56) GABRA2GABRB2MDM2ALDH1A1ELANE
SCHEMBL1437112 0.84 MDM2 (0.66) GABRA2GABRB2MDM2ALDH1A1ELANE
SCHEMBL9893835 0.84 MDM2 (0.60) GABRA2GABRB2MDM2ALDH1A1LMNA
SCHEMBL1437015 0.82 MDM2 (0.56) GABRA2GABRB2MDM2ALDH1A1LMNA
SCHEMBL1437253 0.82 MDM2 (0.62) GABRA2GABRB2MDM2ALDH1A1ELANE
SCHEMBL1437506 0.81 ALDH1A1 (0.48) GABRA2GABRB2ALDH1A1ELANELMNA

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 GABRA2 4293/4885GABRB2 4278/4885MDM2 2/4885

“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.