SCHEMBL94774

SCHEMBL94774

Nc1nc(S)nc2nc[nH]c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.66
GDA Q9Y2T3 1/20 0.66
PI4KA P42356 2/20 0.52
PI4K2B Q8TCG2 2/20 0.52
PI4K2A Q9BTU6 2/20 0.52
PI4KB Q9UBF8 2/20 0.52
LMNA P02545 1/20 0.52
DRD3 P35462 1/20 0.52
XDH P47989 1/20 0.52
LRRK2 Q5S007 1/20 0.52
CDK2 P24941 4/20 0.47
DPP4 P27487 1/20 0.47
PNP P00491 1/20 0.46
POLA1 P09884 2/20 0.43
MAP3K5 Q99683 1/20 0.43
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
CCNA2 P20248 3/20 0.40
CCNA1 P78396 3/20 0.40
KDR P35968 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
SCHEMBL29421402 1.00 PDPK1 (0.66) PDPK1GDAPI4KAPI4K2BPI4K2A
Isoguanine SCHEMBL887741 0.80 PDPK1 (0.66) PDPK1GDAPI4KAPI4K2BPI4K2A
Isoguanine SCHEMBL29569323 0.80 PDPK1 (0.66) PDPK1GDAPI4KAPI4K2BPI4K2A
2,6-Diaminopurine SCHEMBL24053 0.79 PDPK1 (1.00) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL1275417 0.79 PDPK1 (0.44) PDPK1GDAPI4KAPI4K2BPI4K2A
2,6-Diaminopurine SCHEMBL28206545 0.78 PDPK1 (0.96) PDPK1GDAPI4KAPI4K2BPI4K2A
2,6-Diaminopurine SCHEMBL8757979 0.78 PDPK1 (0.96) PDPK1GDAPI4KAPI4K2BPI4K2A
2,6-Diaminopurine SCHEMBL27891733 0.78 PDPK1 (0.96) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL1193371 0.76 PDPK1 (0.41) PDPK1GDAXDHLRRK2CDK2
SCHEMBL1724116 0.76 GDA (0.41) PDPK1GDAPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250172493-A1 OPTICAL FOREIGN SUBSTANCE DETECTION DEVICE USING LIGHT SCATTERING AND IMAGE ANALYSIS JEDEX INC. (KR) 2025-05-29 US claimed
CN-119563102-A Optical foreign matter detection device using light scattering and image analysis 杰德克思股份有限公司 2025-03-04 CN claimed
WO-2024039005-A1 OPTICAL FOREIGN MATTER DETECTION DEVICE USING LIGHT SCATTERING AND IMAGE ANALYSIS 주식회사 제덱스 2024-02-22 WO claimed
US-20170328837-A1 SERS-BASED ANALYTE DETECTION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-16 US claimed
US-9689801-B2 SERS-based analyte detection AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-27 US claimed
US-20170175129-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS INC (US) 2017-06-22 US claimed
US-20170136131-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF Modema Therapeutics, Inc. (US) 2017-05-18 US claimed
EP-3157573-A2 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF Moderna Therapeutics, Inc. (US) 2017-04-26 EP claimed
EP-3157572-A2 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF Moderna Therapeutics, Inc. (US) 2017-04-26 EP claimed
EP-2516995-B1 SERS-BASED ANALYTE DETECTION AGENCY SCIENCE TECH & RES (SG) 2016-10-26 EP claimed
WO-2015089511-A2 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2015-06-18 WO 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
WO-2014093924-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2014-06-19 WO claimed
US-20130023435-A1 SERS-BASED ANALYTE DETECTION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-01-24 US claimed
EP-2516995-A1 SERS-BASED ANALYTE DETECTION Agency For Science, Technology And Research (SG) 2012-10-31 EP claimed
WO-2011078794-A1 SERS-BASED ANALYTE DETECTION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-30 WO claimed
US-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species CAVALIER DISCOVERY 2003-05-01 US claimed
WO-2002100478-A9 ACCELERATORS FOR INCREASING THE RATE OF FORMATION OF FREE RADICALS AND REACTIVE OXYGEN SPECIES CAVALIER DISCOVERY (US) 2003-03-27 WO claimed
WO-2002100478-A2 ACCELERATORS FOR INCREASING THE RATE OF FORMATION OF FREE RADICALS AND REACTIVE OXYGEN SPECIES CAVALIER DISCOVERY (US) 2002-12-19 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species SOD1, SOD3, APEX1 PDPK1 3581/4885GDA 439/4885PI4KA 3808/4885
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 PDPK1 281/4885GDA 1170/4885PI4KA 2349/4885
US-20170175129-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, RNGTT, NSUN3 PDPK1 3868/4885GDA 83/4885PI4KA 2752/4885
US-20170136131-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, RNGTT, NSUN3 PDPK1 3868/4885GDA 83/4885PI4KA 2752/4885

“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.