SCHEMBL8050581

SCHEMBL8050581

Nc1cc(Br)c(NCCc2c[nH]c3ccccc23)cc1CO

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.55
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
PTGS2 P35354 1/20 0.47
MMP9 P14780 1/20 0.47
AANAT Q16613 1/20 0.47
POLB P06746 1/20 0.47
SLC2A1 P11166 1/20 0.47
RAD52 P43351 1/20 0.47
KMT2A Q03164 1/20 0.47
MC5R P33032 1/20 0.47
MC3R P41968 1/20 0.47
MC1R Q01726 1/20 0.47
DRD2 P14416 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL18783077 0.86 CDK2 (0.55) CDK2HTR1AHTR2AKDM4EALDH1A1
SCHEMBL18531433 0.82 CDK2 (0.58) CDK2HTTMMP9AANATKMT2A
SCHEMBL8111483 0.82 CDK2 (0.58) CDK2HTR1AHTR2AKDM4EALDH1A1
SCHEMBL18531434 0.81 CDK2 (0.68) CDK2HTTPOLBKMT2A
SCHEMBL8041918 0.80 CDK2 (0.49) CDK2ALDH1A1PTGS2POLBSLC2A1
SCHEMBL8043012 0.78 CDK2 (0.48) CDK2HTR1AHTTPTGS2POLB
SCHEMBL4786975 0.77 HTR2A (0.55) CDK2HTR1AHTR2AKDM4EALDH1A1
SCHEMBL8047440 0.77 CDK2 (0.48) CDK2PTGS2
SCHEMBL17464549 0.77 CDK2 (0.55) CDK2HTR1AHTR2AKDM4EALDH1A1
SCHEMBL8048284 0.76 HTR2A (0.56) CDK2HTR1AHTR2AKDM4EALDH1A1

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 8 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-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 35/4885HTR1A 2675/4885HTR2A 3374/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 CDK2 35/4885HTR1A 2675/4885HTR2A 3374/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 CDK2 35/4885HTR1A 2675/4885HTR2A 3374/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 CDK2 33/4885HTR1A 2783/4885HTR2A 3587/4885

“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.