SCHEMBL8042888

SCHEMBL8042888

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.41
GAK O14976 1/20 0.41
COQ8A Q8NI60 1/20 0.41
NLK Q9UBE8 1/20 0.41
USP2 O75604 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39

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
SCHEMBL8047787 0.91 MTNR1A (0.46) RIPK2GAKCOQ8ANLKUSP2
SCHEMBL12811052 0.89 GAK (0.41) RIPK2GAKCOQ8ANLKUSP2
SCHEMBL8030960 0.87 CDK2 (0.47) RIPK2GAKCOQ8ANLKUSP2
SCHEMBL8041131 0.85 HTR2A (0.41) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8041506 0.82 USP2 (0.34) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12810906 0.82 USP2 (0.38) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8032984 0.76 MTNR1A (0.48) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8050440 0.76 FADS1 (0.45) RIPK2GAKCOQ8ANLKKMT2A
SCHEMBL18784051 0.75 MTNR1A (0.54) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12811110 0.75 MTNR1A (0.38) ALDH1A1MEN1KMT2AHTR1AHTR2A

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 10 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
EP-2203440-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2011-03-23 EP 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 RIPK2 741/4885GAK 947/4885COQ8A 2374/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 RIPK2 741/4885GAK 947/4885COQ8A 2374/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 RIPK2 741/4885GAK 947/4885COQ8A 2374/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 RIPK2 829/4885GAK 966/4885COQ8A 2408/4885

“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.