SCHEMBL12845353

SCHEMBL12845353

COc1cc(Nc2ccnc3ccccc23)ccc1NCCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.53
RIPK2 O43353 1/20 0.53
COQ8A Q8NI60 1/20 0.53
NLK Q9UBE8 1/20 0.53
HTR1A P08908 3/20 0.52
DRD2 P14416 3/20 0.52
HTR2A P28223 3/20 0.52
HTR7 P34969 3/20 0.52
HTR6 P50406 3/20 0.52
CDK2 P24941 3/20 0.52
PTGS2 P35354 2/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALOX12 P18054 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47
PAK4 O96013 5/20 0.47
POLB P06746 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
SCHEMBL12845598 0.92 KMT2A (0.48) GAKRIPK2COQ8ANLKHTR1A
SCHEMBL12845679 0.88 KMT2A (0.47) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL12845777 0.85 HTR1A (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL12845393 0.84 CDK2 (0.54) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL12845502 0.84 KMT2A (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL12845776 0.82 PTGS2 (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL12845351 0.81 HTT (0.58) HTR1ADRD2HTR2ACDK2PTGS2
SCHEMBL8265749 0.81 PAK4 (0.55) HTR1ADRD2CDK2PTGS2KMT2A
SCHEMBL8030960 0.81 CDK2 (0.47) GAKRIPK2COQ8ANLKHTR1A
SCHEMBL12845356 0.81 HTT (0.58) HTR2APTGS2KMT2AMEN1LMNA

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 6 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

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 GAK 977/4885RIPK2 910/4885COQ8A 2115/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 GAK 977/4885RIPK2 910/4885COQ8A 2115/4885

“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.