SCHEMBL797563

SCHEMBL797563

O=C1NCCc2c1[nH]c1ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
HPGD P15428 2/20 1.00
HTT P42858 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2C19 P33261 1/20 1.00
MAPT P10636 3/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
TUBB4A P04350 1/20 0.59
TUBB P07437 1/20 0.59
TUBA3C P0DPH7 1/20 0.59
TUBA1B P68363 1/20 0.59
TUBA4A P68366 1/20 0.59
TUBB4B P68371 1/20 0.59
TUBB3 Q13509 1/20 0.59
TUBB2A Q13885 1/20 0.59

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
SCHEMBL6882020 0.90 KDM4E (0.81) KDM4EMEN1KMT2AHPGDHTT
SCHEMBL15868699 0.89 KDM4E (0.79) KDM4EMEN1KMT2AHPGDHTT
SCHEMBL30897563 0.81 MEN1 (0.69) KDM4EMEN1KMT2AHPGDHTT
SCHEMBL3427648 0.79 TUBB4A (0.68) KDM4EMEN1KMT2AHPGDHTT
SCHEMBL940853 0.79 KDM4E (0.65) KDM4EMEN1KMT2AHPGDHTT
SCHEMBL2882593 0.79 KDM4E (0.65) KDM4EMEN1KMT2AHPGDHTT
SCHEMBL6237719 0.79 KDM4E (0.69) KDM4EMEN1KMT2AHPGDHTT
SCHEMBL14259277 0.79 PRKD1 (0.66) KDM4EMEN1KMT2AHPGDHTT
SCHEMBL6241086 0.79 KDM4E (1.00) KDM4EMEN1KMT2AHPGDHTT
SCHEMBL1655185 0.79 PRKD1 (0.84) KDM4EMEN1KMT2AHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818724-B Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-11-13 CN disclosed
US-10344040-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2019-07-09 US disclosed
US-10053469-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2018-08-21 US disclosed
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2018-06-28 US disclosed
EP-2003129-B1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
EP-2003129-B1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2017-03-16 US disclosed
US-9505785-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2016-11-29 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
EP-2003129-A1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed
EP-2003129-A1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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
US-4994477-A Hypotensive agents ABBOTT LABORATORIES (US) 1991-02-19 US disclosed
US-4472399-A Indolo[2',3';3,4]pyrido[2,1-b]quinazoline-5-ones, a process for the preparation thereof, and diuretic compositions and methods using them CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1984-09-18 US disclosed
US-4252803-A HYPOTENSIVE AGENTS, ANALGESICS GLAXO GROUP LIMITED (GB) 1981-02-24 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 (7 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 KDM4E 1947/4885MEN1 1063/4885KMT2A 500/4885
US-10344040-B2 Pyridone and aza-pyridone compounds and methods of use PDXK, BTK, LCK KDM4E 1408/4885MEN1 2146/4885KMT2A 3182/4885
US-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS KDM4E 3424/4885MEN1 1017/4885KMT2A 2539/4885
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 KDM4E 2254/4885MEN1 1848/4885KMT2A 1193/4885
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK KDM4E 1408/4885MEN1 2146/4885KMT2A 3182/4885
US-10053469-B2 Pyridone and aza-pyridone compounds and methods of use PDXK, BTK, LCK KDM4E 1408/4885MEN1 2146/4885KMT2A 3182/4885
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK KDM4E 1724/4885MEN1 2580/4885KMT2A 3863/4885

“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.