SCHEMBL4171864

SCHEMBL4171864

COc1ccc2[nH]c3c(c2c1)CCCC3=NO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.77
MAPT P10636 7/20 0.77
TDP1 Q9NUW8 2/20 0.77
PTGES O14684 1/20 0.54
ALDH1A1 P00352 6/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2D6 P10635 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALOX15 P16050 2/20 0.54
RECQL P46063 2/20 0.54
HTR7 P34969 2/20 0.54
HPGD P15428 2/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
CASP1 P29466 1/20 0.54
HTR6 P50406 1/20 0.54

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
SCHEMBL4171862 1.00 KDM4E (0.77) KDM4EMAPTTDP1PTGESALDH1A1
SCHEMBL4260313 1.00 KDM4E (0.77) KDM4EMAPTTDP1PTGESALDH1A1
SCHEMBL1658091 0.97 KDM4E (0.73) KDM4EMAPTTDP1PTGESALDH1A1
SCHEMBL1658092 0.97 KDM4E (0.73) KDM4EMAPTTDP1PTGESALDH1A1
SCHEMBL6244260 0.93 KDM4E (0.67) KDM4EMAPTTDP1PTGESALDH1A1
SCHEMBL6347706 0.93 KDM4E (0.67) KDM4EMAPTTDP1PTGESALDH1A1
SCHEMBL8792512 0.92 KDM4E (0.64) KDM4EMAPTTDP1ALDH1A1CYP1A2
SCHEMBL6242672 0.92 KDM4E (0.64) KDM4EMAPTTDP1ALDH1A1CYP1A2
SCHEMBL6242671 0.92 KDM4E (0.64) KDM4EMAPTTDP1ALDH1A1CYP1A2
SCHEMBL16433466 0.87 KDM4E (0.77) KDM4EMAPTTDP1PTGESALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-30 US claimed
US-9023787-B2 MAPKAP kinase-2 as a specific target for blocking proliferation of P53-defective MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-05 US disclosed
US-8946444-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2015-02-03 US disclosed
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-02-06 US disclosed
US-8440610-B2 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-14 US disclosed
US-20120252737-A1 Methods for Diagnosing and Treating Cancer MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-04 US disclosed
US-20090181468-A1 Methods and compositions for treating cellular proliferative diseases YAFFE MICHAEL B 2009-07-16 US disclosed
US-20090042866-A1 Tetrahydrocarbazoles as Active Agents for Inhibiting VEGF Production by Translational Control PTC THERAPEUTICS, INC. 2009-02-12 US disclosed
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-08 US disclosed
EP-1824498-A2 METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES THE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-08-29 EP disclosed
US-20060115453-A1 Methods and compositions for treating cellular proliferative diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-01 US disclosed
WO-2006053315-A2 METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-05-18 WO disclosed
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-30 US disclosed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 US disclosed
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 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 (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-20060115453-A1 Methods and compositions for treating cellular proliferative diseases MKI67, TP53, CCNC KDM4E 3928/4885MAPT 1772/4885TDP1 1302/4885
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 KDM4E 1947/4885MAPT 1892/4885TDP1 2635/4885
US-20090042866-A1 Tetrahydrocarbazoles as Active Agents for Inhibiting VEGF Production by Translational Control VEGFA, FLT4, KDR KDM4E 518/4885MAPT 2774/4885TDP1 4461/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 KDM4E 4005/4885MAPT 1844/4885TDP1 908/4885
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 KDM4E 2254/4885MAPT 2076/4885TDP1 1710/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 KDM4E 4005/4885MAPT 1844/4885TDP1 908/4885

“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.