SCHEMBL12845342

SCHEMBL12845342

COc1ccc2c(CNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTR6 P50406 1/20 0.48
GSK3B P49841 2/20 0.47
ERBB2 P04626 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
GSK3A P49840 1/20 0.47
IRAK1 P51617 1/20 0.47
RPS6KA3 P51812 1/20 0.47
ROCK1 Q13464 1/20 0.47
CDC42BPA Q5VT25 1/20 0.47
AURKB Q96GD4 1/20 0.47
CSNK1G3 Q9Y6M4 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.43
PTGDR Q13258 1/20 0.42

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
SCHEMBL12845688 0.89 MTNR1A (0.56) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL12845523 0.82 GPR84 (0.51) GSK3BPRKACARPS6KB1GSK3ARPS6KA3
SCHEMBL12845365 0.80 HTR2A (0.61) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL8041094 0.79 MTNR1A (0.50) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL8048232 0.79 HTR2A (0.51) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL12845369 0.79 HRH3 (0.54) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL12845627 0.77 CDK2 (0.47) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL11175939 0.77 GPR84 (0.66) HTR2AHTR6MTNR1AMTNR1BGAA
SCHEMBL19983831 0.77 HTR2A (0.49) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL12845630 0.75 MTNR1A (0.51) HTR2AMEN1KMT2AHTR6MTNR1A

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 HTR2A 3566/4885MEN1 978/4885KMT2A 2688/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 HTR2A 3566/4885MEN1 978/4885KMT2A 2688/4885

“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.