SCHEMBL1437656

SCHEMBL1437656

CCOC(=O)C1(O)CN(c2cc(Cl)cnc2OC)C(c2ccccc2)=N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
CYP1A2 P05177 3/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PSMB11 A5LHX3 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33

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
SCHEMBL9893922 0.84 MDM2 (0.44) ADORA3CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1440045 0.79 GABRA2 (0.47) ADORA3CYP1A2TP53CYP2C9CYP2C19
SCHEMBL1437624 0.78 GSK3B (0.41) ADORA3ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL23027868 0.78 GABRA2 (0.41) CYP1A2TP53CYP2C9CYP2C19ALDH1A1
SCHEMBL9893993 0.77 MDM2 (0.43) CYP1A2CYP2C9CYP2C19POLBALDH1A1
SCHEMBL1437481 0.76 RXFP1 (0.42) ADORA3CYP1A2TP53RXFP1CYP2C9
SCHEMBL1437351 0.76 MDM2 (0.47) ADORA3TP53POLBALDH1A1GABRA2
SCHEMBL1437524 0.75 MDM2 (0.40) ADORA3POLBALDH1A1GABRA2GABRB2
SCHEMBL1437489 0.74 MEN1 (0.40) ADORA3TP53ALDH1A1GABRA2GABRB2
SCHEMBL13437659 0.73 TP53 (0.39) CYP1A2TP53CYP2C9CYP2C19GABRA2

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 ADORA3 1701/4885CYP1A2 1912/4885TP53 3/4885

“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.