SCHEMBL1996891

SCHEMBL1996891

CNc1nc(Cl)nc2nc[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 1.00
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TMIGD3 P0DMS9 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
TNNI3K Q59H18 1/20 0.51
DPP4 P27487 1/20 0.43
KDM4E B2RXH2 1/20 0.42
BRAF P15056 1/20 0.40

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
SCHEMBL28726405 0.82 XDH (0.70) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL7110910 0.81 XDH (0.69) XDHADORA3SMN1; SMN2TMIGD3HTR2C
SCHEMBL21595204 0.81 XDH (0.69) XDHADORA3ADORA2ASMN1; SMN2TMIGD3
SCHEMBL11876697 0.80 XDH (0.67) XDHADORA3ADORA2ABRAF
SCHEMBL20565 0.80 XDH (0.67) XDHADORA3ADORA2ABRAF
SCHEMBL30523428 0.80 XDH (0.67) XDHADORA3ADORA2ABRAF
SCHEMBL5694220 0.79 XDH (0.65) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL16146631 0.79 XDH (0.65) XDHADORA3SMN1; SMN2TMIGD3HTR2C
SCHEMBL29444888 0.79 XDH (0.64) XDHADORA3SMN1; SMN2TMIGD3HTR2C
SCHEMBL28252065 0.79 XDH (0.64) XDHADORA3SMN1; SMN2TMIGD3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516637-B1 THERMOSTABLE BIOCATALYST COMBINATION FOR NUCLEOSIDE SYNTHESIS PLASMIA BIOTECH S L (ES) 2016-04-20 EP claimed
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 CN claimed
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 US claimed
CN-102770532-A Thermostable biocatalyst conjugates for nucleoside synthesis PLASMIA BIOTECH S L 2012-11-07 CN claimed
EP-2516637-A1 THERMOSTABLE BIOCATALYST COMBINATION FOR NUCLEOSIDE SYNTHESIS Plasmia Biotech, S.L. (ES) 2012-10-31 EP claimed
US-20120264175-A1 THERMOSTABLE BIOCATALYST COMBINATION FOR NUCLEOSIDE SYNTHESIS BRILL ENGINES, S.L. (ES) 2012-10-18 US claimed
WO-2011076894-A1 THERMOSTABLE BIOCATALYST COMBINATION FOR NUCLEOSIDE SYNTHESIS INSTITUT UNIV. DE CIÈNCIA I TECNOLOGIA, S.A. (ES) 2011-06-30 WO claimed
EP-2338985-A1 Thermostable biocatalyst combination for nucleoside synthesis Institut Univ. de Ciència i Tecnologia, s.a. (ES) 2011-06-29 EP claimed
US-20080089957-A1 Monocotyledon plant indications extract compositions, method of preparation and pharmaceutical compositions containing them ACADEMIA SINICA (TW) 2008-04-17 US claimed
CN-116492347-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2023-07-28 CN disclosed
CN-108703970-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2018-10-26 CN disclosed
US-9938279-B2 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2018-04-10 US disclosed
EP-2516637-B1 THERMOSTABLE BIOCATALYST COMBINATION FOR NUCLEOSIDE SYNTHESIS PLASMIA BIOTECH S L (ES) 2016-04-20 EP disclosed
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 CN disclosed
EP-2134683-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2009-12-23 EP disclosed
EP-2057159-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-05-13 EP disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 WO disclosed
US-20080089957-A1 Monocotyledon plant indications extract compositions, method of preparation and pharmaceutical compositions containing them ACADEMIA SINICA (TW) 2008-04-17 US disclosed
WO-2008017161-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-02-14 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 (3 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-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) PRKAG2, PRKAB2, PRKAG1 XDH 253/4885ADORA3 1280/4885ADORA2A 511/4885
US-20080089957-A1 Monocotyledon plant indications extract compositions, method of preparation and pharmaceutical compositions containing them OAT, TPMT, NUDT1 XDH 5/4885ADORA3 478/4885ADORA2A 630/4885
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS XDH 1667/4885ADORA3 3583/4885ADORA2A 3335/4885

“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.