SCHEMBL8044094

SCHEMBL8044094

OCc1cc(NCCc2c[nH]c3ccccc23)c(Br)cc1Nc1ccnc2c1CCC2O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.41
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTGS2 P35354 2/20 0.37
POLB P06746 1/20 0.37
SLC2A1 P11166 1/20 0.37
RAD52 P43351 1/20 0.37
KMT2A Q03164 1/20 0.37
MTNR1A P48039 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK9 P50750 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL12845325 0.83 HRH3 (0.46) USP2ALOX15PTGS2POLBSLC2A1
SCHEMBL12845707 0.83 HRH3 (0.46) USP2ALOX15PTGS2POLBSLC2A1
SCHEMBL12554173 0.83 HRH3 (0.46) USP2ALOX15PTGS2POLBSLC2A1
SCHEMBL8043012 0.83 CDK2 (0.48) CDK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL8044588 0.82 CDK2 (0.41) CDK2USP2ALOX15PTGS2KMT2A
SCHEMBL8047092 0.80 POLB (0.42) CDK2USP2ALOX15PTGS2POLB
SCHEMBL8041059 0.80 KMT2A (0.42) CDK2USP2ALOX15HDAC3HDAC1
SCHEMBL8042392 0.79 CDK2 (0.42) CDK2USP2ALOX15PTGS2KMT2A
SCHEMBL8041018 0.78 MAPT (0.41) CDK2USP2ALOX15PTGS2POLB
SCHEMBL12845423 0.78 HRH3 (0.46) USP2ALOX15PTGS2POLBKMT2A

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 CDK2 35/4885USP2 1646/4885ALOX15 4677/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 CDK2 35/4885USP2 1646/4885ALOX15 4677/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 CDK2 35/4885USP2 1646/4885ALOX15 4677/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 CDK2 33/4885USP2 1611/4885ALOX15 4688/4885

“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.