SCHEMBL8075490

SCHEMBL8075490

Cc1cccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SOS2 Q07890 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
ADRB3 P13945 1/20 0.39
PCSK9 Q8NBP7 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SPR P35270 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
PTGS2 P35354 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MPO P05164 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL8043533 0.88 HTR2A (0.47) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL8040347 0.86 HTR2A (0.44) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL12845713 0.85 MTNR1A (0.56) HTR2AHRH3ADRB3HTR1ADRD2
SCHEMBL8041131 0.82 HTR2A (0.41) HTR2AMAPTSMN1; SMN2NPSR1SOS2
Serdemetan SCHEMBL29375950 0.80 HRH3 (0.58) HTR2AMAPTSMN1; SMN2HRH3MEN1
Serdemetan SCHEMBL3012498 0.80 HRH3 (0.58) HTR2AMAPTSMN1; SMN2HRH3MEN1
SCHEMBL8233217 0.79 MTNR1A (0.53) HRH3SPRDRD2HTR6MTNR1A
SCHEMBL19114665 0.78 HTR2A (0.34) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL15267237 0.78 MAPT (0.71) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL13258476 0.77 CDK2 (0.34) HTR2AMAPTSMN1; SMN2NPSR1MEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393801-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-07-12 EP disclosed
US-8853406-B2 Substituted phenylenediamines as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
US-8541442-B2 Indole derivatives as anticancer agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-24 US disclosed
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 US disclosed
US-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS Janssen Pharmaceutica NV a corporation 2011-12-01 US disclosed
US-20110130418-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN-CILAG (FR) 2011-06-02 US disclosed
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 LACRAMPE JEAN FERNAND ARMAND 2011-03-03 US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 US disclosed
WO-2010089327-A2 INDOLE DERIVATIVES AS ANTICANCER AGENTS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 WO disclosed
WO-2009019274-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-02-12 WO disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 US disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 US 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-20110130418-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 HTR2A 3253/4885MAPT 1281/4885SMN1; SMN2 4380/4885
US-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS IDO1, IDO2, INMT HTR2A 60/4885MAPT 2392/4885SMN1; SMN2 4608/4885
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 HTR2A 3566/4885MAPT 1277/4885SMN1; SMN2 3698/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 HTR2A 3566/4885MAPT 1277/4885SMN1; SMN2 3698/4885

“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.