SCHEMBL249227

SCHEMBL249227

O=C1Nc2cc(C(F)(F)F)ccc2/C1=C\c1cccc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 2/20 0.47
PLK1 P53350 1/20 0.47
KDR P35968 2/20 0.44
CISD1 Q9NZ45 5/20 0.43
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
RAF1 P04049 1/20 0.43
TTR P02766 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NTRK1 P04629 1/20 0.43
NTRK3 Q16288 1/20 0.43
AURKB Q96GD4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDGFRB P09619 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
SCHEMBL249228 1.00 PLK4 (0.47) PLK4PLK1KDRCISD1PIM1
SCHEMBL249079 0.86 LRRK2 (0.53) PLK4PLK1KDRPIM1MEN1
SCHEMBL249078 0.86 LRRK2 (0.53) PLK4PLK1KDRPIM1MEN1
SCHEMBL2945563 0.86 PLK4 (0.55) PLK4PLK1KDRCISD1PIM1
SCHEMBL249353 0.86 PLK4 (0.55) PLK4PLK1KDRCISD1PIM1
SCHEMBL1300738 0.81 PDGFRB (0.56) PLK4PLK1KDRCISD1PIM1
SCHEMBL1300733 0.81 PDGFRB (0.56) PLK4PLK1KDRCISD1PIM1
SCHEMBL8220285 0.81 LRRK2 (0.58) PLK4PLK1PDGFRB
SCHEMBL1301170 0.81 LRRK2 (0.54) PLK4PLK1CISD1PIM1PIM2
SCHEMBL14679985 0.81 CISD1 (0.49) PLK4PLK1KDRCISD1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
EP-1856123-A2 SMALL MOLECULE INHIBITORS OF MDM2 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-11-21 EP 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
WO-2006091646-A2 SMALL MOLECULE INHIBITORS OF MDM2 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-08-31 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-20100273799-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF TP53, MDM2, CDKN1A PLK4 496/4885PLK1 61/4885KDR 2853/4885
US-20130030173-A1 PROCESS FOR THE PREPARATION OF SMALL MOLECULE INHIBITORS OF MDM2 AND INTERMEDIATES USED THEREIN TP53, MDM2, CDKN1A PLK4 248/4885PLK1 23/4885KDR 3007/4885
US-20120101092-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF TP53, MDM2, CDKN1A PLK4 496/4885PLK1 61/4885KDR 2853/4885
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 227/4885KDR 752/4885

“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.