SCHEMBL249078

SCHEMBL249078

O=C1Nc2cc(C(F)(F)F)ccc2/C1=C\c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.53
KDR P35968 1/20 0.52
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
PDGFRB P09619 4/20 0.49
PLK4 O00444 2/20 0.49
PLK1 P53350 2/20 0.49
PIM1 P11309 2/20 0.49
RET P07949 1/20 0.49
FLT3 P36888 1/20 0.49
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
APP P05067 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
SNCA P37840 1/20 0.46

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
SCHEMBL249079 1.00 LRRK2 (0.53) LRRK2KDRITGA4ITGB7PDGFRB
SCHEMBL249227 0.86 PLK4 (0.47) KDRPDGFRBPLK4PLK1PIM1
SCHEMBL249228 0.86 PLK4 (0.47) KDRPDGFRBPLK4PLK1PIM1
SCHEMBL8483910 0.83 KDR (0.71) KDRITGA4ITGB7PDGFRBPLK4
SCHEMBL8483914 0.83 KDR (0.71) KDRITGA4ITGB7PDGFRBPLK4
SCHEMBL14674884 0.82 PDGFRB (0.67) KDRITGA4ITGB7PDGFRBPIM1
SCHEMBL14675240 0.82 PLK4 (0.65) KDRPDGFRBPLK4PLK1PIM1
SCHEMBL14675241 0.82 PLK4 (0.65) KDRPDGFRBPLK4PLK1PIM1
SCHEMBL29875557 0.82 PLK4 (0.65) KDRPDGFRBPLK4PLK1PIM1
SCHEMBL14674883 0.82 PDGFRB (0.67) KDRITGA4ITGB7PDGFRBPIM1

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
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
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 (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 LRRK2 993/4885KDR 2853/4885ITGA4 4693/4885
US-20130030173-A1 PROCESS FOR THE PREPARATION OF SMALL MOLECULE INHIBITORS OF MDM2 AND INTERMEDIATES USED THEREIN TP53, MDM2, CDKN1A LRRK2 963/4885KDR 3007/4885ITGA4 4680/4885
US-20120101092-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF TP53, MDM2, CDKN1A LRRK2 993/4885KDR 2853/4885ITGA4 4693/4885
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 LRRK2 419/4885KDR 752/4885ITGA4 4508/4885

“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.