SCHEMBL1023476

SCHEMBL1023476

C1=Nc2c(ncnc2-c2cccs2)[N]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 5/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ADK P55263 2/20 0.35
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL1023046 0.76 ADORA2A (0.51) RPS6KB2MEN1KMT2AKDM4EHPGD
SCHEMBL2497304 0.74 KDM4E (0.38) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL11904077 0.69 DPP4 (0.38) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL11904112 0.68 ADORA2A (0.43) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL1033845 0.66 NPC1 (0.43) RPS6KB2MEN1KMT2AKDM4EHPGD
SCHEMBL14843470 0.65 ADORA2A (0.57) RPS6KB2MEN1KMT2AKDM4EHPGD
SCHEMBL1029868 0.61 SMN1; SMN2 (0.51) KDM4EALDH1A1NPC1RAB9ATDO2
SCHEMBL1029867 0.61 CDK5 (0.44) RPS6KB2MEN1KMT2AKDM4EALDH1A1
SCHEMBL31690465 0.61 JAK2 (0.57) CDK5PDE3BPDE3A
SCHEMBL1781579 0.61 KDM4E (0.56) RPS6KB2MEN1KMT2AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212014-B2 Artificial base pairs and uses thereof RIKEN (JP) 2012-07-03 US claimed
EP-1921141-B1 NOVEL ARTIFICIAL BASE PAIR AND USE THEREOF RIKEN (JP) 2011-01-12 EP claimed
US-20100323364-A1 MODIFIED tRNA CONTAINING UNNATURAL BASE AND USE THEREOF THE UNIVERSITY OF TOKYO (JP) 2010-12-23 US claimed
US-20100285598-A1 Novel Artificial Base Pairs and Uses Thereof RIKEN (JP) 2010-11-11 US claimed
EP-2246428-A1 MODIFIED TRNA CONTAINING NON-NATURAL NUCLEOTIDE AND USE THEREOF The University of Tokyo (JP) 2010-11-03 EP claimed
EP-1921141-A1 NOVEL ARTIFICIAL BASE PAIR AND USE THEREOF Riken (JP) 2008-05-14 EP claimed
US-8715984-B2 Modified tRNA containing unnatural base and use thereof RIKEN (JP) 2014-05-06 US disclosed
US-8212014-B2 Artificial base pairs and uses thereof RIKEN (JP) 2012-07-03 US disclosed
EP-1921141-B1 NOVEL ARTIFICIAL BASE PAIR AND USE THEREOF RIKEN (JP) 2011-01-12 EP disclosed
US-20100323364-A1 MODIFIED tRNA CONTAINING UNNATURAL BASE AND USE THEREOF THE UNIVERSITY OF TOKYO (JP) 2010-12-23 US disclosed
US-20100285598-A1 Novel Artificial Base Pairs and Uses Thereof RIKEN (JP) 2010-11-11 US disclosed
EP-2246428-A1 MODIFIED TRNA CONTAINING NON-NATURAL NUCLEOTIDE AND USE THEREOF The University of Tokyo (JP) 2010-11-03 EP disclosed
EP-1921141-A1 NOVEL ARTIFICIAL BASE PAIR AND USE THEREOF Riken (JP) 2008-05-14 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 (2 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-20100285598-A1 Novel Artificial Base Pairs and Uses Thereof POLRMT, RNGTT, POLN RPS6KB2 1103/4885MEN1 2596/4885KMT2A 1692/4885
US-20100323364-A1 MODIFIED tRNA CONTAINING UNNATURAL BASE AND USE THEREOF TRMT1, NSUN3, TARBP1 RPS6KB2 1012/4885MEN1 3591/4885KMT2A 1025/4885

“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.