SCHEMBL8047787

SCHEMBL8047787

COc1c(Nc2ccnc3ccccc23)ccc(NCCc2c[nH]c3c(OC)cccc23)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
GAK O14976 3/20 0.45
RIPK2 O43353 1/20 0.45
COQ8A Q8NI60 1/20 0.45
NLK Q9UBE8 1/20 0.45
HTR2A P28223 2/20 0.43
HTR6 P50406 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
HTR1A P08908 4/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1A P35348 3/20 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
SCHEMBL12811052 0.94 GAK (0.41) MTNR1AMTNR1BGAKRIPK2COQ8A
SCHEMBL8042888 0.91 RIPK2 (0.41) GAKRIPK2COQ8ANLKHTR2A
SCHEMBL8030960 0.87 CDK2 (0.47) GAKRIPK2COQ8ANLKHTR2A
SCHEMBL8032984 0.85 MTNR1A (0.48) MTNR1AMTNR1BHTR2AHTR6CYP1A2
SCHEMBL8051632 0.82 MTNR1A (0.41) MTNR1AMTNR1BHTR2AHTR6CYP1A2
SCHEMBL13130725 0.82 MTNR1A (0.44) MTNR1AMTNR1BGAKHTR2AHTR6
SCHEMBL18784051 0.81 MTNR1A (0.54) MTNR1AMTNR1BHTR2AHTR6CYP1A2
SCHEMBL13130740 0.81 HTR2A (0.55) MTNR1AMTNR1BHTR2AHTR6CYP1A2
SCHEMBL8050443 0.79 GAK (0.50) MTNR1AMTNR1BGAKRIPK2COQ8A
SCHEMBL12810903 0.78 MTNR1A (0.36) MTNR1AMTNR1BHTR2AHTR6CYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2023-02-21 US disclosed
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 JANSSEN PHARMACEUTICA NV (BE) 2020-04-23 US disclosed
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-04-27 US disclosed
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-04-27 US disclosed
US-9573933-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2017-02-21 US disclosed
US-9573933-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2017-02-21 US disclosed
US-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN PHARMACEUTICAL NV (BE) 2010-09-23 US disclosed
US-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN PHARMACEUTICAL NV (BE) 2010-09-23 US disclosed
WO-2009037308-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-03-26 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 (4 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-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 MTNR1A 1006/4885MTNR1B 1771/4885GAK 947/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 MTNR1A 1006/4885MTNR1B 1771/4885GAK 947/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 MTNR1A 1006/4885MTNR1B 1771/4885GAK 947/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 MTNR1A 1118/4885MTNR1B 1821/4885GAK 966/4885

“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.