SCHEMBL5694207

SCHEMBL5694207

Nc1nc(C(=O)COc2ccccc2)nc2nc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
GDA Q9Y2T3 1/20 0.43
MGMT P16455 4/20 0.43
CDK1 P06493 4/20 0.43
CDK2 P24941 4/20 0.43
CCNB1 P14635 3/20 0.43
CCNA2 P20248 3/20 0.43
CCNA1 P78396 3/20 0.43
PIN1 Q13526 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL5694198 0.80 ALOX15 (0.40) LMNAALOX15POLBALDH1A1HPGD
SCHEMBL16648595 0.79 SYK (0.50) CDK1LMNAALDH1A1TOP2A
SCHEMBL134909 0.78 PDPK1 (0.49) PDPK1GDAMGMTCDK1CDK2
SCHEMBL8581232 0.77 CDK1 (0.52) PDPK1GDAMGMTCDK1CDK2
SCHEMBL29509029 0.76 GDA (0.58) PDPK1GDAMGMTCDK2CYP1A2
SCHEMBL1684049 0.76 GDA (0.58) PDPK1GDAMGMTCDK2CYP1A2
SCHEMBL30107648 0.75 GDA (0.56) PDPK1GDAMGMTCDK2CYP1A2
SCHEMBL9393667 0.75 PDPK1 (0.49) PDPK1GDAMGMTCDK1CDK2
SCHEMBL9458749 0.74 ADORA3 (0.55) PDPK1GDAMGMTCDK1CDK2
SCHEMBL27461919 0.73 GDA (0.58) PDPK1GDAMGMTCDK2CYP1A2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004131-B1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2020-07-22 EP claimed
EP-3004131-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM Chemicals Llc (US) 2016-04-13 EP claimed
US-20160083414-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2016-03-24 US claimed
WO-2014197714-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2014-12-11 WO claimed
EP-3004131-B1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2020-07-22 EP disclosed
US-10669301-B2 Phosphoramidite building blocks for sugar-conjugated oligonucleotides AM CHEMICALS LLC (US) 2020-06-02 US disclosed
US-20180362572-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2018-12-20 US disclosed
US-10087208-B2 Phosphoramidite building blocks for sugar-conjugated oligonucleotides AM CHEMICALS LLC (US) 2018-10-02 US disclosed
EP-3004131-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM Chemicals Llc (US) 2016-04-13 EP disclosed
US-20160083414-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2016-03-24 US disclosed
WO-2014197714-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2014-12-11 WO disclosed
US-20140038181-A1 CHEMICALLY SUBSTITUTED THERMOSENSITIVE PROBES AND COFACTORS FOR HOT START LIGATION TRILINK BIOTECHNOLOGIES, INC. 2014-02-06 US disclosed
WO-2012094343-A1 CHEMICALLY SUBSTITUTED THERMOSENSITIVE PROBES AND COFACTORS FOR HOT START LIGATION TRILINK BIOTECHNOLOGIES (US) 2012-07-12 WO disclosed
US-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 EP 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 (5 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-10669301-B2 Phosphoramidite building blocks for sugar-conjugated oligonucleotides DERA, FBP1, PNKP PDPK1 1748/4885GDA 402/4885MGMT 1561/4885
US-20180362572-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES DERA, TYMP, PAICS PDPK1 2015/4885GDA 488/4885MGMT 1413/4885
US-10087208-B2 Phosphoramidite building blocks for sugar-conjugated oligonucleotides DERA, TYMP, PAICS PDPK1 2015/4885GDA 488/4885MGMT 1413/4885
US-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB PDPK1 3656/4885GDA 716/4885MGMT 408/4885
US-20160083414-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES DERA, TYMP, PAICS PDPK1 2015/4885GDA 488/4885MGMT 1413/4885

“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.