SCHEMBL497198

SCHEMBL497198

Nc1nc(Br)nc2[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CSNK2A2 P19784 1/20 0.36
RAB9A P51151 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
DYRK1A Q13627 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
GDA Q9Y2T3 2/20 0.33
PDPK1 O15530 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
XDH P47989 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL3328520 0.90 MEN1 (0.31) KMT2AMEN1CSNK2A2RAB9ACSNK2B
2,6-Diaminopurine SCHEMBL24052 0.79 GDA (0.48) GDAPDPK1ALDH1A1XDHHPGD
SCHEMBL533602 0.79 MEN1 (0.39) KMT2AMEN1CSNK2A2RAB9ACSNK2B
2,6-Diaminopurine SCHEMBL6423146 0.78 GDA (0.47) GDAPDPK1ALDH1A1XDHHPGD
2,6-Diaminopurine SCHEMBL8757968 0.78 GDA (0.47) GDAPDPK1ALDH1A1XDHHPGD
SCHEMBL6545701 0.76 GDA (0.34) GDAPDPK1ALDH1A1XDHHPGD
SCHEMBL11977311 0.76 GDA (0.33) GDAPDPK1ALDH1A1XDHHPGD
SCHEMBL22700248 0.76 GDA (0.33) GDAPDPK1ALDH1A1XDHHPGD
SCHEMBL5582500 0.76 GDA (0.33) GDAPDPK1ALDH1A1XDHHPGD
SCHEMBL842437 0.76 CSNK2A1 (0.36) CSNK2A2CSNK2A1GDAPDPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
US-20160304552-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. 2016-10-20 US claimed
EP-3080289-A2 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF Moderna Therapeutics, Inc. (US) 2016-10-19 EP claimed
US-20150307542-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF MODERNATX, INC. 2015-10-29 US claimed
EP-2931319-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF Moderna Therapeutics, Inc. (US) 2015-10-21 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
EP-2097430-A1 5'-O-[(N-ACYL)AMIDOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDOTHIOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDODITHIOPHOSPHATE]- AND 5'-O-[N- ACYL)AMIDOSELENOPHOSPHATE-DERIVATIVES OF NUCLEOSIDES AND PROCESSES FOR THE MANUFACTURE THEREOF Centrum Badan Molekularnych I Makromolekularnych Pan (PL) 2009-09-09 EP claimed
WO-2009005382-A2 DERIVATIVES OF NUCLEOSIDE-5'-O-HYPOPHOSPHATES AND THEIR MONO- AND DITHIOHYPOPHOSPHATE ANALOGUES AND THE PROCESS FOR THE MANUFACTURE THEREOF CENTRUM BADAN MOLEKULARNYCH I MAKROMOLEKULARNYCH, POLSKIEJ AKADEMII NAUK (PL) 2009-01-08 WO claimed
US-20080293667-A1 Lipid analogs for combating tumors WAKE FOREST UNIVERSITY (US) 2008-11-27 US claimed
WO-2008048128-A1 5'-O-[(N-ACYL)AMIDOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDOTHIOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDODITHIOPHOSPHATE]- AND 5'-O-[(N- ACYL)AMIDOSELENOPHOSPHATE]-DERIVATIVES OF NUCLEOSIDES AND PROCESSES FOR THE MANUFACTURE THEREOF CENTRUM BADAN MOLEKULARNYCH I MAKROMOLEKULARNYCH, POLSKIEJ AKADEMII NAUK (PL) 2008-04-24 WO claimed
EP-0781138-A2 LIPID ANALOGS FOR TREATING VIRAL INFECTIONS WAKE FOREST UNIVERSITY (US) 1997-07-02 EP claimed
EP-0533825-B1 ETHER LIPID-NUCLEOSIDE COVALENT CONJUGATES UNIV WAKE FOREST (US) 1996-04-24 EP claimed
WO-1996006620-A2 LIPID ANALOGS FOR TREATING VIRAL INFECTIONS WAKE FOREST UNIVERSITY (US) 1996-03-07 WO claimed
EP-0533825-A4 ETHER LIPID-NUCLEOSIDE COVALENT CONJUGATES 1993-06-02 EP claimed
EP-0533825-A1 ETHER LIPID-NUCLEOSIDE COVALENT CONJUGATES. UNIV WAKE FOREST (US) 1993-03-31 EP claimed
WO-1991019726-A1 ETHER LIPID-NUCLEOSIDE COVALENT CONJUGATES WAKE FOREST UNIVERSITY (US) 1991-12-26 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 (6 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 KMT2A 3050/4885MEN1 3276/4885CSNK2A2 898/4885
US-20160304552-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, ADAR, NSUN3 KMT2A 973/4885MEN1 2749/4885CSNK2A2 2748/4885
US-20170175129-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, RNGTT, NSUN3 KMT2A 1435/4885MEN1 3388/4885CSNK2A2 3087/4885
US-20170136131-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, RNGTT, NSUN3 KMT2A 1435/4885MEN1 3388/4885CSNK2A2 3087/4885
US-20150307542-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, ADAR, NSUN3 KMT2A 973/4885MEN1 2749/4885CSNK2A2 2748/4885
US-20080293667-A1 Lipid analogs for combating tumors SGMS1, PNLIP, SGMS2 KMT2A 3530/4885MEN1 677/4885CSNK2A2 4240/4885

“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.