SCHEMBL12845641

SCHEMBL12845641

COCCOCc1cc(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
IP6K1 Q92551 2/20 0.45
PTGS2 P35354 5/20 0.44
PAK4 O96013 1/20 0.44
CDK2 P24941 2/20 0.44
DRD2 P14416 3/20 0.43
HTR1A P08908 3/20 0.43
HTR2A P28223 2/20 0.43
HTR7 P34969 2/20 0.43
HTR6 P50406 2/20 0.43
DRD3 P35462 1/20 0.42
SLC6A4 P31645 1/20 0.42
EIF2AK2 P19525 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12845461 0.93 HRH3 (0.48) HRH3PTGS2PAK4CDK2DRD2
SCHEMBL12845611 0.92 HRH3 (0.49) HRH3IP6K1PTGS2PAK4CDK2
SCHEMBL12845428 0.90 HRH3 (0.44) HRH3PTGS2PAK4CDK2DRD2
SCHEMBL12845448 0.90 HRH3 (0.50) HRH3PTGS2PAK4CDK2DRD2
SCHEMBL8264799 0.89 CDK2 (0.47) HRH3PTGS2PAK4CDK2
SCHEMBL12845782 0.89 IP6K1 (0.49) IP6K1PTGS2PAK4CDK2HTR2A
SCHEMBL12845542 0.88 HRH3 (0.44) HRH3PTGS2PAK4CDK2DRD2
SCHEMBL12845458 0.87 HRH3 (0.47) HRH3PTGS2PAK4CDK2DRD2
SCHEMBL12845595 0.87 CDK2 (0.48) HRH3PTGS2PAK4CDK2
SCHEMBL12845701 0.84 CDK2 (0.48) HRH3PTGS2CDK2MEN1KMT2A

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 HRH3 3525/4885IP6K1 2694/4885PTGS2 3159/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 HRH3 3525/4885IP6K1 2694/4885PTGS2 3159/4885

“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.