SCHEMBL5066802

SCHEMBL5066802

CCc1nc(N)c2nc[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.37
BTK Q06187 1/20 0.31
PDPK1 O15530 1/20 0.31
GDA Q9Y2T3 1/20 0.31
CDK1 P06493 2/20 0.30
CCNB1 P14635 2/20 0.30
CDK2 P24941 2/20 0.30
CCNA2 P20248 1/20 0.30
CCNA1 P78396 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
CCNE1 P24864 1/20 0.30

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
SCHEMBL215053 0.86 ADORA2A (0.40) ADORA1CDK1CCNB1CDK2CCNA2
SCHEMBL11222090 0.85 PDPK1 (0.32) PDPK1GDAALDH1A1
Hydrochloric Acid SCHEMBL7735731 0.85 ADORA2A (0.40) ADORA1CDK1CCNB1CDK2CCNA2
Barbital SCHEMBL2130349 0.85 LMNA (0.44) ALDH1A1
SCHEMBL17060282 0.84 PDPK1 (0.32) PDPK1GDA
SCHEMBL7490404 0.83 ADORA2A (0.43) ADORA1CDK1CCNB1CDK2CCNA2
SCHEMBL4551801 0.82 ADORA2A (0.44) ADORA1PDPK1CDK1CCNB1CDK2
SCHEMBL9176115 0.82 GDA (0.32) PDPK1GDA
SCHEMBL10615800 0.81 CDK1 (0.37) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL6379581 0.81 HRH2 (0.37) PDPK1GDA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-116492347-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2023-07-28 CN disclosed
EP-2427195-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2019-05-01 EP 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
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 CN disclosed
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 disclosed
US-8172873-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2012-05-08 US disclosed
US-20110251364-A1 Shape Memory Polymers NATIONAL SCIENCE FOUNDATION 2011-10-13 US disclosed
US-7935131-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2011-05-03 US disclosed
US-20080177303-A1 Shape memory polymers ROCHESTER, UNIVERSITY OF 2008-07-24 US disclosed
WO-2002018582-A9 62112, A NOVEL HUMAN DEHYDROGENASE AND USES THEREOF MILLENNIUM PHARM INC (US) 2003-04-03 WO disclosed
EP-1045927-A1 MULTIPLEX VGID ValiGene Corporation (US) 2000-10-25 EP disclosed
EP-1015474-A1 DON-1 GENE AND POLYPEPTIDES AND USES THEREFOR Millennium Pharmaceuticals, Inc. (US) 2000-07-05 EP disclosed
CN-1242373-A Novel arabinosyladenine derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 2000-01-26 CN disclosed
WO-1999036575-A1 MULTIPLEX VGID VALIGENE CORPORATION (US) 1999-07-22 WO disclosed
EP-0789577-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 1998-07-22 EP disclosed
WO-1998007736-A1 DON-1 GENE AND POLYPEPTIDES AND USES THEREFOR MILLENNIUM BIOTHERAPEUTICS, INC. (US) 1998-02-26 WO disclosed
EP-0789577-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1997-08-20 EP disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 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 (1 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 ADORA1 1262/4885BTK 3989/4885PDPK1 281/4885

“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.