SCHEMBL8068972

SCHEMBL8068972

Cc1cc(Nc2ccncc2)ccc1NCCc1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.49
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
PTGS2 P35354 3/20 0.48
HTR2A P28223 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTR1A P08908 1/20 0.47
HTT P42858 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
POLB P06746 1/20 0.46
SLC2A1 P11166 1/20 0.46
RAD52 P43351 1/20 0.46
PAK4 O96013 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
SCHEMBL12845363 0.87 CDK2 (0.52) CDK2KMT2APTGS2HTR2AHTR1A
SCHEMBL12811043 0.87 KMT2A (0.54) CDK2ALDH1A1KMT2AMEN1PTGS2
SCHEMBL12845777 0.87 HTR1A (0.55) CDK2KMT2AMEN1PTGS2HTR2A
SCHEMBL8030584 0.86 CDK2 (0.50) CDK2ALDH1A1KMT2APTGS2HTR2A
SCHEMBL8041023 0.85 KMT2A (0.53) CDK2ALDH1A1KMT2AMEN1PTGS2
Serdemetan SCHEMBL29375950 0.85 HRH3 (0.58) ALDH1A1KMT2AMEN1PTGS2HTR2A
Serdemetan SCHEMBL3012498 0.85 HRH3 (0.58) ALDH1A1KMT2AMEN1PTGS2HTR2A
SCHEMBL12845509 0.85 MEN1 (0.49) CDK2ALDH1A1KMT2AMEN1HTR2A
SCHEMBL19114665 0.82 HTR2A (0.34) CDK2ALDH1A1KMT2AMEN1PTGS2
SCHEMBL12845775 0.81 CDK2 (0.46) CDK2KMT2AHTR2AHTR1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393801-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-07-12 EP disclosed
EP-2185541-B1 Substituted phenylenediamines as inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2015-01-28 EP disclosed
US-8853406-B2 Substituted phenylenediamines as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
US-8541442-B2 Indole derivatives as anticancer agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-24 US disclosed
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 US disclosed
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 US disclosed
US-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS Janssen Pharmaceutica NV a corporation 2011-12-01 US disclosed
US-20110130418-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN-CILAG (FR) 2011-06-02 US disclosed
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 LACRAMPE JEAN FERNAND ARMAND 2011-03-03 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
WO-2010089327-A2 INDOLE DERIVATIVES AS ANTICANCER AGENTS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 WO disclosed
WO-2009019274-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-02-12 WO 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 (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-20110130418-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 CDK2 21/4885ALDH1A1 718/4885KMT2A 3082/4885
US-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS IDO1, IDO2, INMT CDK2 114/4885ALDH1A1 299/4885KMT2A 1513/4885
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 CDK2 36/4885ALDH1A1 4018/4885KMT2A 2688/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 CDK2 36/4885ALDH1A1 4018/4885KMT2A 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.