SCHEMBL249651

SCHEMBL249651

O=C1Nc2cc(Br)ccc2C1=Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LRRK2 Q5S007 1/20 0.57
RAF1 P04049 1/20 0.55
KDR P35968 2/20 0.54
PLK4 O00444 3/20 0.52
PLK1 P53350 2/20 0.52
PDGFRB P09619 2/20 0.52
RET P07949 1/20 0.52
FLT3 P36888 1/20 0.52
PIM1 P11309 2/20 0.52
MAP1LC3B Q9GZQ8 1/20 0.50

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
SCHEMBL249650 1.00 MEN1 (0.58) MEN1KMT2ALRRK2RAF1KDR
SCHEMBL2945563 0.90 PLK4 (0.55) MEN1KMT2ALRRK2RAF1KDR
SCHEMBL249353 0.90 PLK4 (0.55) MEN1KMT2ALRRK2RAF1KDR
SCHEMBL6857929 0.88 MEN1 (0.73) MEN1KMT2ALRRK2PLK4PLK1
SCHEMBL6835454 0.88 MEN1 (0.73) MEN1KMT2ALRRK2PLK4PLK1
SCHEMBL3151046 0.86 LRRK2 (0.56) MEN1KMT2ALRRK2RAF1KDR
SCHEMBL3366790 0.86 LRRK2 (0.56) MEN1KMT2ALRRK2RAF1KDR
SCHEMBL3366788 0.86 LRRK2 (0.56) MEN1KMT2ALRRK2RAF1KDR
SCHEMBL249294 0.82 PDGFRB (0.69) LRRK2KDRPLK4PLK1PDGFRB
SCHEMBL249295 0.82 PDGFRB (0.69) LRRK2KDRPLK4PLK1PDGFRB

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 12 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
CN-107868087-B Method for preparing pyrroloindole derivatives 浙江大学 2020-03-24 CN disclosed
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 MEN1 2186/4885KMT2A 2327/4885LRRK2 993/4885
US-20130030173-A1 PROCESS FOR THE PREPARATION OF SMALL MOLECULE INHIBITORS OF MDM2 AND INTERMEDIATES USED THEREIN TP53, MDM2, CDKN1A MEN1 2197/4885KMT2A 3347/4885LRRK2 963/4885
US-20120101092-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF TP53, MDM2, CDKN1A MEN1 2186/4885KMT2A 2327/4885LRRK2 993/4885
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 MEN1 3855/4885KMT2A 795/4885LRRK2 419/4885

“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.