SCHEMBL8042400

SCHEMBL8042400

COc1c(Nc2ccncc2)ccc(NCCc2c[nH]c3ccccc23)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.48
PTGS2 P35354 6/20 0.47
HTR1A P08908 4/20 0.47
HTR2A P28223 4/20 0.47
DRD2 P14416 4/20 0.47
HTR7 P34969 3/20 0.47
HTR6 P50406 3/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
SLC2A1 P11166 1/20 0.43
RAD52 P43351 1/20 0.43
PTGS1 P23219 1/20 0.43
PAK4 O96013 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL8032984 0.86 MTNR1A (0.48) CDK2PTGS2HTR1AHTR2ADRD2
SCHEMBL8041131 0.86 HTR2A (0.41) CDK2PTGS2HTR1AHTR2ADRD2
SCHEMBL8030547 0.86 CDK2 (0.51) CDK2PTGS2HTR1AHTR2ADRD2
SCHEMBL12811110 0.85 MTNR1A (0.38) CDK2PTGS2HTR1AHTR2ADRD2
SCHEMBL8030960 0.85 CDK2 (0.47) CDK2PTGS2HTR1AHTR2ADRD2
SCHEMBL8041023 0.84 KMT2A (0.53) CDK2PTGS2HTR1AHTR2ADRD2
SCHEMBL12845776 0.83 PTGS2 (0.52) CDK2PTGS2HTR1AHTR2ADRD2
SCHEMBL8030584 0.82 CDK2 (0.50) CDK2PTGS2HTR1AHTR2AKMT2A
SCHEMBL12845777 0.81 HTR1A (0.55) CDK2PTGS2HTR1AHTR2ADRD2
Serdemetan SCHEMBL3012498 0.80 HRH3 (0.58) PTGS2HTR1AHTR2ADRD2HTR7

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 CDK2 35/4885PTGS2 3081/4885HTR1A 2675/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 CDK2 35/4885PTGS2 3081/4885HTR1A 2675/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 CDK2 35/4885PTGS2 3081/4885HTR1A 2675/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 CDK2 33/4885PTGS2 3170/4885HTR1A 2783/4885

“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.