SCHEMBL8263301

SCHEMBL8263301

c1cncc(Nc2ccc(NCc3c[nH]c4ccccc34)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
AKT1 P31749 2/20 0.53
HRH3 Q9Y5N1 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SPR P35270 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GBA1 P04062 1/20 0.44
MC5R P33032 2/20 0.44
MC1R Q01726 2/20 0.44
MC3R P41968 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
LTA4H P09960 1/20 0.43
CYP19A1 P11511 1/20 0.43
TBXAS1 P24557 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
SCHEMBL12845676 0.88 PTGS2 (0.62) PTGS2AKT1HRH3MEN1KMT2A
SCHEMBL12845369 0.87 HRH3 (0.54) AKT1HRH3MEN1KMT2AMC5R
SCHEMBL5897571 0.81 HRH3 (0.60) HRH3MEN1KMT2AKDM4EMC5R
SCHEMBL8263300 0.79 SPR (0.62) PTGS2AKT1HRH3MEN1KMT2A
SCHEMBL12845625 0.77 HRH3 (0.56) PTGS2HRH3MEN1KMT2ASPR
SCHEMBL13119267 0.76 HRH3 (0.59) PTGS2HRH3MEN1KMT2AKDM4E
SCHEMBL27872852 0.76 PTGS2 (0.56) PTGS2AKT1MEN1KMT2ASPR
SCHEMBL5947327 0.75 KMT2A (0.58) PTGS2AKT1MEN1KMT2ASPR
SCHEMBL28167913 0.75 ALDH1A1 (0.64) PTGS2HRH3MEN1KMT2APKM
Serdemetan SCHEMBL3012498 0.74 HRH3 (0.58) PTGS2HRH3MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 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
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
WO-2006032631-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-30 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 (2 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-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 PTGS2 3159/4885AKT1 448/4885HRH3 3525/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 PTGS2 3159/4885AKT1 448/4885HRH3 3525/4885

“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.