SCHEMBL315924

SCHEMBL315924

[c]1n[nH]c2cccc(-c3n[nH]c4ccccc34)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
IDO1 P14902 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TTK P33981 3/20 0.50
MAPK10 P53779 3/20 0.50
GAA P10253 2/20 0.50
ALPL P05186 1/20 0.50
HPGD P15428 1/20 0.50
AURKA O14965 3/20 0.45
LRRK2 Q5S007 2/20 0.44
ITK Q08881 3/20 0.42
FGFR1 P11362 2/20 0.42
FLT1 P17948 2/20 0.42
MAP2K4 P45985 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPK6 Q16659 1/20 0.41
PDPK1 O15530 2/20 0.41
CYP3A4 P08684 2/20 0.41
NPC1 O15118 2/20 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
SCHEMBL3177127 0.78 ESR1 (0.43) CYP3A4TP53CYP1A2CYP2D6LMNA
SCHEMBL3079936 0.78 BCHE (0.40) KDM4EALDH1A1GAAALPLHPGD
SCHEMBL16210184 0.77 KDM4E (0.45) KDM4EIDO1ALDH1A1TTKMAPK10
SCHEMBL693684 0.77 BCHE (0.47) KDM4EIDO1ALDH1A1MAPK1NPC1
SCHEMBL30681831 0.75 KDM4E (0.58) KDM4EIDO1ALDH1A1TTKMAPK10
SCHEMBL2353932 0.75 METAP2 (0.47) KDM4EIDO1ALDH1A1TTKMAPK10
SCHEMBL2188838 0.75 KDM4E (0.58) KDM4EIDO1ALDH1A1TTKMAPK10
SCHEMBL30316649 0.75 KDM4E (0.58) KDM4EIDO1ALDH1A1TTKMAPK10
SCHEMBL7543114 0.75 KDM4E (0.43) KDM4EIDO1ALDH1A1TTKMAPK10
SCHEMBL1672674 0.73 IDO1 (0.78) KDM4EIDO1ALDH1A1TTKMAPK10

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714244-B2 Substituted pyrido[4,3-d]pyrimidines as Wee-1 inhibitors ALMAC DISCOVERY LIMITED (GB) 2017-07-25 US disclosed
US-9434698-B2 Process for preparing antiviral compounds ABBVIE INC. (US) 2016-09-06 US disclosed
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 US disclosed
US-9345702-B2 Methods of treatment using selective Bcl-2 inhibitors ABBVIE INC. (US) 2016-05-24 US disclosed
US-20160060258-A1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-03-03 US disclosed
US-20150191437-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE INC. (US) 2015-07-09 US disclosed
US-20150150870-A1 METHODS OF TREATMENT USING SELECTIVE BCL-2 INHIBITORS ABBVIE INC. 2015-06-04 US disclosed
US-8980643-B2 Dicationic liquid salts and methods of use thereof SIGMA-ALDRICH CO., LLC (US) 2015-03-17 US disclosed
EP-2778166-A1 THIOXANTHENE DERIVATIVES FOR THE TREATMENT OF INFECTIOUS DISEASES BKG Pharma ApS (DK) 2014-09-17 EP disclosed
US-20140171429-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-19 US disclosed
WO-2004089942-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS INC. (US) 2004-10-21 WO disclosed
EP-1432420-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS Acadia Pharmaceuticals Inc. (US) 2004-06-30 EP disclosed
EP-1373494-A2 SUCCINIMIDE AND MALEIMIDE DERIVATIVES AND THEIR USE AS TOPOISOMERASE II CATALYTIC INHIBITORS Topo Target A/S (DK) 2004-01-02 EP disclosed
EP-1341743-A2 ORGANIC REACTIONS WITH CO GENERATING MATERIALS Personal Chemistry i Uppsala AB (SE) 2003-09-10 EP disclosed
US-20030100545-A1 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS, INC. 2003-05-29 US disclosed
WO-2003028650-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2003-04-10 WO disclosed
US-20030032625-A1 Succinimide and maleimide derivatives and their use as topoisomerase II catalytic inhibitors TOPO TARGET APS (DK) 2003-02-13 US disclosed
WO-2002078679-A2 SUCCINIMIDE AND MALEIMIDE DERIVATIVES AND THEIR USE AS TOPOISOMERASE II CATALYTIC INHIBITORS TOPO TARGET APS (DK) 2002-10-10 WO disclosed
US-20020103176-A1 Male contraceptive formulation comprising norethisterone SCHERING AKTIENGESELLSCHAFT 2002-08-01 US disclosed
WO-2002048072-A2 ORGANIC REACTIONS WITH CO GENERATING MATERIALS PERSONAL CHEMISTRY I UPPSALA AB (SE) 2002-06-20 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 (8 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-20160060258-A1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS WEE1, WEE2, NME1 KDM4E 420/4885IDO1 1091/4885ALDH1A1 1226/4885
US-20030032625-A1 Succinimide and maleimide derivatives and their use as topoisomerase II catalytic inhibitors TOP2A, TOP2B, TOP1 KDM4E 1093/4885IDO1 3106/4885ALDH1A1 2038/4885
US-20020103176-A1 Male contraceptive formulation comprising norethisterone NR5A1, NASP, SHBG KDM4E 1312/4885IDO1 3006/4885ALDH1A1 2153/4885
US-20030100545-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM5, CHRM1 KDM4E 1250/4885IDO1 1557/4885ALDH1A1 3046/4885
US-20150150870-A1 METHODS OF TREATMENT USING SELECTIVE BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L10 KDM4E 2326/4885IDO1 2741/4885ALDH1A1 4772/4885
US-20140171429-A1 BICYCLIC INHIBITORS OF ALK ALK, ACVR1, ACVR1B KDM4E 778/4885IDO1 1775/4885ALDH1A1 161/4885
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX KDM4E 1090/4885IDO1 3419/4885ALDH1A1 2353/4885
US-20150191437-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, RNASE1, MAVS KDM4E 3729/4885IDO1 1571/4885ALDH1A1 2049/4885

“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.