SCHEMBL6854443

SCHEMBL6854443

Cc1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 2/20 0.67
DYRK1A Q13627 1/20 0.67
LMNA P02545 1/20 0.67
POLB P06746 1/20 0.67
THRB P10828 1/20 0.67
ALOX12 P18054 1/20 0.67
RPS6KA3 P51812 1/20 0.63
RET P07949 3/20 0.58
PTPN1 P18031 2/20 0.57
PTPN2 P17706 1/20 0.54
PLK4 O00444 2/20 0.53
MAP1LC3B Q9GZQ8 1/20 0.51
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
MAPT P10636 1/20 0.50
PDGFRB P09619 2/20 0.48

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
SCHEMBL6830071 1.00 MEN1 (0.67) MEN1KMT2AALDH1A1DYRK1ALMNA
SCHEMBL6830072 0.83 RPS6KA3 (0.62) MEN1KMT2AALDH1A1RPS6KA3RET
SCHEMBL6855418 0.83 RPS6KA3 (0.62) MEN1KMT2AALDH1A1RPS6KA3RET
SCHEMBL6833485 0.81 MEN1 (0.61) MEN1KMT2ARPS6KA3RETPTPN1
SCHEMBL6855761 0.81 MEN1 (0.61) MEN1KMT2ARPS6KA3RETPTPN1
SCHEMBL5728472 0.81 POLB (1.00) MEN1KMT2AALDH1A1DYRK1ALMNA
SCHEMBL5728468 0.81 POLB (1.00) MEN1KMT2AALDH1A1DYRK1ALMNA
SCHEMBL5367282 0.79 KMT2A (0.60) MEN1KMT2AALDH1A1DYRK1ALMNA
SCHEMBL5358670 0.79 MEN1 (0.60) MEN1KMT2AALDH1A1DYRK1ALMNA
SCHEMBL6849771 0.77 RPS6KA3 (1.00) MEN1KMT2AALDH1A1RPS6KA3RET

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-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
EP-3138838-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2017-03-08 EP disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 US disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 US disclosed
WO-2011094708-A2 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATIING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC (US) 2011-08-04 WO disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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 (6 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 MEN1 3416/4885KMT2A 3471/4885ALDH1A1 545/4885
US-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MEN1 1169/4885KMT2A 1640/4885ALDH1A1 3292/4885
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 MEN1 3272/4885KMT2A 2775/4885ALDH1A1 2862/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MEN1 1169/4885KMT2A 1640/4885ALDH1A1 3292/4885
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 MEN1 3272/4885KMT2A 2775/4885ALDH1A1 2862/4885
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 MEN1 3272/4885KMT2A 2775/4885ALDH1A1 2862/4885

“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.