SCHEMBL8050440

SCHEMBL8050440

Cc1cccc2c(CCNc3c(Cl)cc(Nc4ccnc5ccccc45)cc3Cl)c[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.45
RIPK2 O43353 2/20 0.43
KDR P35968 4/20 0.41
HTR2A P28223 1/20 0.41
GAK O14976 1/20 0.41
COQ8A Q8NI60 1/20 0.41
NLK Q9UBE8 1/20 0.41
EGFR P00533 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
SLC2A1 P11166 1/20 0.39
RAD52 P43351 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
PTK6 Q13882 1/20 0.38

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
SCHEMBL8050443 0.88 GAK (0.50) FADS1RIPK2KDRHTR2AGAK
SCHEMBL8045380 0.85 POLB (0.56) FADS1KDRHTR2APOLBSLC2A1
SCHEMBL8040347 0.84 HTR2A (0.44) HTR2AMAPTSMN1; SMN2NPSR1POLB
SCHEMBL12810880 0.82 HTR2A (0.39) HTR2AMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL8050446 0.82 HTR2A (0.35) HTR2AMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL8043495 0.80 USP2 (0.49) RIPK2GAKCOQ8ANLKMAPT
SCHEMBL8042888 0.76 RIPK2 (0.41) RIPK2HTR2AGAKCOQ8ANLK
SCHEMBL13130694 0.73 HTR2A (0.38) HTR2AMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL8043533 0.72 HTR2A (0.47) HTR2AMAPTSMN1; SMN2NPSR1POLB
SCHEMBL8045371 0.72 MTNR1A (0.49) HTR2AKMT2AHTR1A

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 FADS1 3008/4885RIPK2 741/4885KDR 2861/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 FADS1 3008/4885RIPK2 741/4885KDR 2861/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 FADS1 3008/4885RIPK2 741/4885KDR 2861/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 FADS1 2923/4885RIPK2 829/4885KDR 2940/4885

“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.