SCHEMBL8041918

SCHEMBL8041918

OCc1cc(NCCc2c[nH]c3ccccc23)c(Br)cc1Nc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.49
PTGS2 P35354 7/20 0.48
PTGS1 P23219 1/20 0.46
POLB P06746 1/20 0.44
SLC2A1 P11166 1/20 0.44
RAD52 P43351 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL8047440 0.89 CDK2 (0.48) CDK2PTGS2PTGS1HDAC3HDAC1
SCHEMBL8043012 0.84 CDK2 (0.48) CDK2PTGS2POLBSLC2A1RAD52
SCHEMBL8041023 0.83 KMT2A (0.53) CDK2PTGS2PTGS1POLBSLC2A1
SCHEMBL18783077 0.80 CDK2 (0.55) CDK2KMT2AALDH1A1
SCHEMBL8050581 0.80 CDK2 (0.55) CDK2PTGS2POLBSLC2A1RAD52
SCHEMBL8030584 0.79 CDK2 (0.50) CDK2PTGS2PTGS1POLBSLC2A1
Serdemetan SCHEMBL29375950 0.78 HRH3 (0.58) PTGS2POLBSLC2A1RAD52KMT2A
Serdemetan SCHEMBL3012498 0.78 HRH3 (0.58) PTGS2POLBSLC2A1RAD52KMT2A
SCHEMBL8044094 0.77 CDK2 (0.41) CDK2PTGS2POLBSLC2A1RAD52
SCHEMBL12845383 0.77 PTGS2 (0.53) PTGS2PTGS1POLBSLC2A1RAD52

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 3081/4885PTGS1 1998/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 CDK2 35/4885PTGS2 3081/4885PTGS1 1998/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 CDK2 35/4885PTGS2 3081/4885PTGS1 1998/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 CDK2 33/4885PTGS2 3170/4885PTGS1 2084/4885

“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.