SCHEMBL1623050

SCHEMBL1623050

O=C(O)c1ccc2ccn(C(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 1/20 0.43
MCL1 Q07820 1/20 0.41
OXER1 Q8TDS5 1/20 0.41
ENPP2 Q13822 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL29965479 1.00 KDM4E (0.47) KDM4EHSD17B10ALDH1A1HPGDTP53
SCHEMBL15566279 0.86 TSHR (0.45) KDM4EHSD17B10ALDH1A1HPGDTP53
SCHEMBL29746616 0.85 RAPGEF4 (0.48) KDM4EHSD17B10TP53TSHRL3MBTL1
SCHEMBL29287216 0.82 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HPGDTP53
SCHEMBL21240854 0.82 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HPGDTP53
SCHEMBL15232029 0.82 MAPK11 (0.48) KDM4EHSD17B10ALDH1A1HPGDTP53
SCHEMBL21462778 0.82 PLAU (0.46) KDM4EHSD17B10ALDH1A1HPGDTP53
SCHEMBL16056406 0.79 MCL1 (0.42) KDM4EHSD17B10ALDH1A1HPGDTP53
SCHEMBL21274660 0.79 OXER1 (0.42) KDM4EHSD17B10ALDH1A1HPGDTP53
SCHEMBL1752188 0.79 MAPK11 (0.57) KDM4EHSD17B10ALDH1A1HPGDTP53

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
EP-3612520-A1 AN ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USED THEREOF Il Dong Pharmaceutical Co., Ltd. (KR) 2020-02-26 EP disclosed
WO-2018190643-A1 AN ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USED THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2018-10-18 WO disclosed
CN-108440370-A Inhibitors of viral replication 鲁汶天主教大学 2018-08-24 CN disclosed
CN-104024223-B Inhibitors of viral replication 鲁汶天主教大学 2018-07-24 CN disclosed
EP-2820009-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2015-01-07 EP disclosed
WO-2013130976-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-09-06 WO disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
EP-1682553-B1 THIENOPYRAZOLES AVENTIS PHARMA INC (US) 2010-05-19 EP disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
EP-1682553-A1 THIENOPYRAZOLES Aventis Pharmaceuticals Inc. (US) 2006-07-26 EP disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2005026175-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 WO disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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 (2 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-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 KDM4E 3583/4885HSD17B10 2943/4885ALDH1A1 2271/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 KDM4E 3894/4885HSD17B10 2212/4885ALDH1A1 1421/4885

“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.