SCHEMBL8048232

SCHEMBL8048232

COc1ccc2c(CCNc3c(F)cc(Nc4ccncc4)cc3F)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
PTGDR Q13258 1/20 0.48
MAPT P10636 3/20 0.47
HTR6 P50406 1/20 0.47
IP6K1 Q92551 1/20 0.45
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
ADORA2A P29274 1/20 0.42
CDK2 P24941 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL12845688 0.90 MTNR1A (0.56) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL8041094 0.88 MTNR1A (0.50) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL12811071 0.86 MTNR1A (0.47) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL8043532 0.83 KMT2A (0.54) HTR2AMEN1KMT2AHTR6ALOX15
SCHEMBL12845365 0.81 HTR2A (0.61) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL13130727 0.80 KMT2A (0.46) HTR2AMEN1KMT2AHTR6CYP1A2
SCHEMBL12845342 0.79 HTR2A (0.50) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL12845627 0.79 CDK2 (0.47) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL8033008 0.78 MTNR1A (0.42) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL12845630 0.77 MTNR1A (0.51) HTR2AMEN1KMT2AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2023-02-21 US disclosed
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 JANSSEN PHARMACEUTICA NV (BE) 2020-04-23 US disclosed
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-04-27 US disclosed
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-04-27 US disclosed
US-9573933-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2017-02-21 US disclosed
US-9573933-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2017-02-21 US disclosed
EP-2203440-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2011-03-23 EP disclosed
US-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN PHARMACEUTICAL NV (BE) 2010-09-23 US disclosed
US-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN PHARMACEUTICAL NV (BE) 2010-09-23 US disclosed
WO-2009037308-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-03-26 WO 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 (4 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-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 HTR2A 3374/4885MEN1 1259/4885KMT2A 2789/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 HTR2A 3374/4885MEN1 1259/4885KMT2A 2789/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 HTR2A 3374/4885MEN1 1259/4885KMT2A 2789/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 HTR2A 3587/4885MEN1 1086/4885KMT2A 2768/4885

“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.