SCHEMBL3323407

SCHEMBL3323407

Brc1cnc(N2CCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.42
PANK3 Q9H999 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
SMO Q99835 1/20 0.38
POLB P06746 3/20 0.36
USP2 O75604 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35

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
SCHEMBL1433020 0.95 ALDH1A1 (0.47) KDM4EALDH1A1MAPK1TSHRPANK3
SCHEMBL365996 0.93 TSHR (0.49) KDM4EALDH1A1MAPK1TSHRPANK3
SCHEMBL3611548 0.93 TSHR (0.49) KDM4EALDH1A1MAPK1TSHRPANK3
SCHEMBL23048205 0.87 HRH4 (0.45) KDM4EALDH1A1PANK3MAPTUSP2
SCHEMBL3188491 0.82 CHRNB2 (0.55) KDM4EALDH1A1SMN1; SMN2USP2CHRNB2
SCHEMBL3621462 0.82 ALDH1A1 (0.58) KDM4EALDH1A1MAPK1TSHRPOLB
SCHEMBL11359955 0.82 MAPT (0.53) KDM4EALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL28554481 0.82 KDM4E (0.41) KDM4EALDH1A1MAPK1TSHRPANK3
SCHEMBL18488206 0.81 ALDH1A1 (0.39) KDM4EALDH1A1MAPK1TSHRPANK3
SCHEMBL3291868 0.80 KDM4E (0.39) KDM4EALDH1A1MAPK1PANK3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
CN-109053723-B Sulfonamide derivatives and pharmaceutical use thereof EA制药株式会社 2021-09-03 CN disclosed
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-24 US disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP disclosed
EP-3064491-B1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF EA PHARMA CO LTD (JP) 2020-01-08 EP disclosed
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2019-04-11 US disclosed
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., LTD. (JP) 2015-02-19 US disclosed
US-8933072-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
EP-2582698-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE Vitae Pharmaceuticals, Inc. (US) 2013-04-24 EP disclosed
WO-2011159760-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 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 (9 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-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE CYP11B1, CYP11B2, HSD3B1 KDM4E 2449/4885ALDH1A1 228/4885MAPK1 1597/4885
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAPK7, MAPK14 KDM4E 1166/4885ALDH1A1 4181/4885MAPK1 5/4885
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 KDM4E 2919/4885ALDH1A1 337/4885MAPK1 2996/4885
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ATXN10, GCG, ATXN2L KDM4E 1181/4885ALDH1A1 2764/4885MAPK1 1888/4885
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF ITGB4, ITGA4, ITGA2 KDM4E 771/4885ALDH1A1 1151/4885MAPK1 3932/4885
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 KDM4E 928/4885ALDH1A1 1131/4885MAPK1 1167/4885
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS KDM4E 3625/4885ALDH1A1 1224/4885MAPK1 81/4885
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 KDM4E 2919/4885ALDH1A1 337/4885MAPK1 2996/4885
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 KDM4E 2919/4885ALDH1A1 337/4885MAPK1 2996/4885

“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.