SCHEMBL13037147

SCHEMBL13037147

COC(=O)NCc1cc(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.50
CDK2 P24941 4/20 0.49
PTGS1 P23219 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
GOT1 P17174 1/20 0.45
MAPT P10636 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL12845394 0.91 MEN1 (0.55) PTGS2CDK2PTGS1MEN1LMNA
SCHEMBL12845384 0.89 PTGS2 (0.48) PTGS2CDK2PTGS1MEN1LMNA
SCHEMBL12845350 0.87 CDK2 (0.47) PTGS2CDK2PTGS1MEN1KMT2A
SCHEMBL12845382 0.86 MTNR1A (0.54) PTGS2PTGS1MEN1KMT2A
SCHEMBL12845698 0.86 PTGS2 (0.47) PTGS2CDK2PTGS1MEN1LMNA
SCHEMBL12845784 0.86 HTR2A (0.51) PTGS2CDK2MEN1LMNAKMT2A
SCHEMBL12845780 0.85 GSK3B (0.49) PTGS2CDK2PTGS1MEN1LMNA
SCHEMBL12845611 0.85 HRH3 (0.49) PTGS2CDK2MEN1KMT2AHRH3
SCHEMBL12845701 0.85 CDK2 (0.48) PTGS2CDK2PTGS1MEN1LMNA
SCHEMBL12845595 0.84 CDK2 (0.48) PTGS2CDK2PTGS1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 PTGS2 3159/4885CDK2 36/4885PTGS1 1950/4885

“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.