SCHEMBL249296

SCHEMBL249296

O=C1Nc2ccccc2/C1=C\c1cccc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 2/20 0.70
PLK1 P53350 2/20 0.70
RAF1 P04049 1/20 0.64
PDGFRB P09619 5/20 0.58
RET P07949 1/20 0.58
FLT3 P36888 1/20 0.58
KDR P35968 1/20 0.58
MAPT P10636 3/20 0.58
MAPK1 P28482 3/20 0.58
HTT P42858 1/20 0.58
EGFR P00533 2/20 0.56
ERBB2 P04626 2/20 0.56
IGF1R P08069 2/20 0.56
NOX4 Q9NPH5 1/20 0.56
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
APP P05067 2/20 0.55
SNCA P37840 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 2/20 0.55

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
SCHEMBL5476292 1.00 PLK4 (0.70) PLK4PLK1RAF1PDGFRBRET
SCHEMBL249297 1.00 PLK4 (0.70) PLK4PLK1RAF1PDGFRBRET
SCHEMBL249353 0.88 PLK4 (0.55) PLK4PLK1RAF1KDRMEN1
SCHEMBL2945563 0.88 PLK4 (0.55) PLK4PLK1RAF1KDRMEN1
SCHEMBL3749858 0.88 RAF1 (0.72) PLK4PLK1RAF1PDGFRBRET
SCHEMBL13080585 0.88 RAF1 (0.72) PLK4PLK1RAF1PDGFRBRET
SCHEMBL5474689 0.84 PLK4 (0.72) PLK4PLK1RAF1PDGFRBRET
SCHEMBL4725013 0.84 PLK4 (0.72) PLK4PLK1RAF1PDGFRBRET
SCHEMBL5474682 0.84 PLK4 (0.72) PLK4PLK1RAF1PDGFRBRET
SCHEMBL29638271 0.83 FLT3 (0.56) PLK4PLK1FLT3KDRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856123-B1 SMALL MOLECULE INHIBITORS OF MDM2 AND USES THEREOF UNIV MICHIGAN (US) 2016-02-17 EP disclosed
US-8901117-B2 Small molecule inhibitors of MDM2 and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-12-02 US disclosed
US-8742121-B2 Process for the preparation of small molecule inhibitors of MDM2 and intermediates used therein THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-03 US disclosed
US-20130030173-A1 PROCESS FOR THE PREPARATION OF SMALL MOLECULE INHIBITORS OF MDM2 AND INTERMEDIATES USED THEREIN THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-01-31 US disclosed
US-20120101092-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-26 US disclosed
US-8088931-B2 Small molecule inhibitors of MDM2 and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-01-03 US disclosed
US-20100273799-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-28 US disclosed
US-7759383-B2 INHIBITORS OF MURINE DOUBLE MINUTE-2(MDM2) SUCH AS (2'R,3'S,4'R,5'R)6-CHLORO-4'-2,2-DIMETHYL-PROPYL-2'-(2,2-DIMETHYL-PROPYL)-2-OXO-1,2-DIHYDRO-SPIRO[INDOLE-3,3'-PYRROLIDINE]-5'-CARBOXYLIC ACID(3-MORPHOLIN-4-YL-PROPYL)-AMIDE, USED FOR INDUCING APOPTOSIS AND CELL CYCLE ARREST; ANTIPROLIFERATIVE AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-07-20 US disclosed
US-20070167488-A1 Novel therapeutic use LEO PHARMA A/S (DK) 2007-07-19 US disclosed
US-20070167488-A1 Novel therapeutic use LEO PHARMA A/S (DK) 2007-07-19 US disclosed
US-20060211757-A1 INHIBITORS OF MURINE DOUBLE MINUTE-2(MDM2) SUCH AS (2'R,3'S,4'R,5'R)6-CHLORO-4'-2,2-DIMETHYL-PROPYL-2'-(2,2-DIMETHYL-PROPYL)-2-OXO-1,2-DIHYDRO-SPIRO[INDOLE-3,3'-PYRROLIDINE]-5'-CARBOXYLIC ACID(3-MORPHOLIN-4-YL-PROPYL)-AMIDE, USED FOR INDUCING APOPTOSIS AND CELL CYCLE ARREST; ANTIPROLIFERATIVE AGENTS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-09-21 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 (5 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-20100273799-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF TP53, MDM2, CDKN1A PLK4 496/4885PLK1 61/4885RAF1 994/4885
US-20130030173-A1 PROCESS FOR THE PREPARATION OF SMALL MOLECULE INHIBITORS OF MDM2 AND INTERMEDIATES USED THEREIN TP53, MDM2, CDKN1A PLK4 248/4885PLK1 23/4885RAF1 532/4885
US-20070167488-A1 Novel therapeutic use MAG, PMP22, MYT1 PLK4 3502/4885PLK1 1202/4885RAF1 1761/4885
US-20120101092-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF TP53, MDM2, CDKN1A PLK4 496/4885PLK1 61/4885RAF1 994/4885
US-20060211757-A1 INHIBITORS OF MURINE DOUBLE MINUTE-2(MDM2) SUCH AS (2'R,3'S,4'R,5'R)6-CHLORO-4'-2,2-DIMETHYL-PROPYL-2'-(2,2-DIMETHYL-PROPYL)-2-OXO-1,2-DIHYDRO-SPIRO[INDOLE-3,3'-PYRROLIDINE]-5'-CARBOXYLIC ACID(3-MORPHOLIN-4-YL-PROPYL)-AMIDE, USED FOR INDUCING APOPTOSIS AND CELL CYCLE ARREST; ANTIPROLIFERATIVE AGENTS SKP2, MDM2, CCAR2 PLK4 340/4885PLK1 227/4885RAF1 1862/4885

“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.