SCHEMBL8041506

SCHEMBL8041506

COc1c(Nc2ccnc3c2CCC3O)ccc(NCCc2c[nH]c3c(C)cccc23)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 3/20 0.34
CLK4 Q9HAZ1 3/20 0.34
ALOX15 P16050 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL12810915 0.93 EGFR (0.33) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8051632 0.93 MTNR1A (0.41) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12810909 0.92 MTNR1A (0.34) ALDH1A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL12810903 0.91 MTNR1A (0.36) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL8044295 0.90 USP2 (0.32) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12811070 0.90 HTT (0.38) ALDH1A1MAPTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL12811046 0.90 MTNR1A (0.33) MTNR1AMTNR1BCDK2
SCHEMBL8042392 0.89 CDK2 (0.42) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8075495 0.84 HTR2A (0.36) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13130737 0.84 HTR2A (0.36) USP2CYP1A2CYP3A4CYP2D6CYP2C19

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 USP2 1646/4885CYP1A2 2972/4885CYP3A4 2407/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 USP2 1646/4885CYP1A2 2972/4885CYP3A4 2407/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 USP2 1646/4885CYP1A2 2972/4885CYP3A4 2407/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 USP2 1611/4885CYP1A2 2976/4885CYP3A4 2388/4885

“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.