SCHEMBL940586

SCHEMBL940586

O=C(O)c1cccc(-c2cnco2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAP4K4 O95819 1/20 0.57
KMO O15229 2/20 0.55
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
HDAC4 P56524 1/20 0.52
IMPDH2 P12268 2/20 0.51
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
VCP P55072 1/20 0.47
BRAF P15056 1/20 0.46

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
SCHEMBL3076266 0.87 MAP4K4 (0.61) KEAP1MEN1KMT2AMAP4K4KDM4E
SCHEMBL4249325 0.86 MEN1 (0.55) KEAP1MEN1KMT2AMAP4K4KDM4E
SCHEMBL4245857 0.82 EDNRA (0.55) MEN1KMT2AMAP4K4KDM4EALDH1A1
SCHEMBL13702383 0.82 NPC1 (0.52) MEN1KMT2AMAP4K4KDM4EALDH1A1
SCHEMBL2158739 0.80 KMT2A (0.75) KEAP1MEN1KMT2AMAP4K4LMNA
SCHEMBL1010247 0.80 PKM (0.59) KEAP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL13701629 0.79 IMPDH2 (0.53) MEN1KMT2AMAP4K4KDM4EALDH1A1
SCHEMBL22280601 0.79 SMN1; SMN2 (0.57) MEN1KMT2AMAP4K4KDM4EALDH1A1
SCHEMBL13702109 0.79 ERN1 (0.49) MEN1KMT2AMAP4K4KDM4EALDH1A1
SCHEMBL29808221 0.78 KMT2A (0.66) KEAP1MEN1KMT2AMAP4K4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752615-B2 Spirocyclic containing compounds and pharmaceutical uses thereof GB005, INC. (US) 2020-08-25 US disclosed
WO-2020153431-A1 ESTER COMPOUND 第一三共株式会社 2020-07-30 WO disclosed
WO-2020153431-A1 ESTER COMPOUND 第一三共株式会社 2020-07-30 WO disclosed
US-20190263790-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF GB005, INC. 2019-08-29 US disclosed
WO-2018032104-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF PHARMASCIENCE INC. (CA) 2018-02-22 WO disclosed
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-12-15 US disclosed
EP-2791130-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-01-21 US disclosed
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2015-06-18 US disclosed
US-8933109-B2 Furo[3, 2-B] pyrrol-3-ones as cathespin S inhibitors AMURA LIMITED (GB) 2015-01-13 US disclosed
US-7317009-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
WO-2007149031-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-12-27 WO disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed
US-7153854-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-12-26 US disclosed
US-20060270678-A1 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-11-30 US disclosed
CN-1759117-A Pyrrolopyridazine derivatives ASTELLAS PHARMA INC (JP) 2006-04-12 CN disclosed
EP-1581535-A1 PYRROLOPYRIDAZINE DERIVATIVES Astellas Pharma Inc. (JP) 2005-10-05 EP disclosed
US-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 US disclosed
WO-2004063197-A1 PYRROLOPYRIDAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 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 (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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 KEAP1 4273/4885MEN1 3215/4885KMT2A 3174/4885
US-10752615-B2 Spirocyclic containing compounds and pharmaceutical uses thereof TEC, ITK, TXK KEAP1 840/4885MEN1 2458/4885KMT2A 3551/4885
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KEAP1 3543/4885MEN1 796/4885KMT2A 4719/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 KEAP1 4273/4885MEN1 3215/4885KMT2A 3174/4885
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KEAP1 3654/4885MEN1 848/4885KMT2A 4741/4885
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KEAP1 3654/4885MEN1 848/4885KMT2A 4741/4885
US-20190263790-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF TEC, ITK, TXK KEAP1 840/4885MEN1 2458/4885KMT2A 3551/4885

“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.