SCHEMBL12845683

SCHEMBL12845683

Cn1cc(CCNc2ccc(Nc3ccnc4ccccc34)cc2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
HTT P42858 1/20 0.49
MITF O75030 1/20 0.47
RAD52 P43351 1/20 0.47
ERBB2 P04626 1/20 0.47
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
HRH3 Q9Y5N1 2/20 0.45
HDAC3 O15379 1/20 0.45
ACHE P22303 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 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
SCHEMBL14817117 0.78 TP53 (0.55) HTTHDAC3HDAC1HDAC7HDAC2
SCHEMBL8265671 0.77 HTR2A (0.61) HDAC3HDAC1HDAC7HDAC2HDAC8
SCHEMBL12845502 0.75 KMT2A (0.56) HTTRAD52ERBB2HTR1AADRA1D
SCHEMBL9056570 0.74 HTR2C (0.51) HDAC3HDAC1HDAC7HDAC2HDAC8
SCHEMBL8418207 0.72 HTR2A (0.51) HDAC3HDAC1HDAC6HTR2A
SCHEMBL12240670 0.71 HTT (0.68) ADRA2AADRA2BADRA2CHTTMITF
SCHEMBL12217976 0.71 HTT (0.68) ADRA2AADRA2BADRA2CHTTMITF
SCHEMBL15673390 0.71 ERBB2 (0.66) ADRA2AADRA2BADRA2CHTTMITF
SCHEMBL16598062 0.71 HTR2A (0.63) HDAC3HDAC1HDAC7HDAC2HDAC8
SCHEMBL30420824 0.70 ERBB2 (0.73) ADRA2AADRA2BADRA2CHTTERBB2

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 ADRA2A 4606/4885ADRA2B 4503/4885ADRA2C 4786/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 ADRA2A 4606/4885ADRA2B 4503/4885ADRA2C 4786/4885

“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.