SCHEMBL1023547

SCHEMBL1023547

Cc1ccc(-c2nc(N)nc3c2N=C[N]3)s1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.30
MPI P34949 1/20 0.30
KMT2A Q03164 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
SCHEMBL11904112 0.79 ADORA2A (0.43) MAPTALDH1A1NPC1HSD17B10GAA
SCHEMBL1021507 0.78 ADORA2A (0.37)
SCHEMBL1025479 0.77 TDP2 (0.41)
SCHEMBL1023800 0.76 NPC1 (0.34) MAPTALDH1A1NPC1GFERHSD17B10
SCHEMBL1023046 0.75 ADORA2A (0.51) MAPTALDH1A1NPC1HSD17B10GAA
SCHEMBL536760 0.69
SCHEMBL95407 0.68 DCPS (0.30)
SCHEMBL1021932 0.68 ADORA2A (0.50) ALDH1A1HSD17B10
SCHEMBL536979 0.66 DPP4 (0.33)
SCHEMBL7452627 0.65 CDK2 (0.32)

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 MAPT 4470/4885ALDH1A1 3557/4885NPC1 3586/4885
US-20100323364-A1 MODIFIED tRNA CONTAINING UNNATURAL BASE AND USE THEREOF TRMT1, NSUN3, TARBP1 MAPT 2146/4885ALDH1A1 3848/4885NPC1 3289/4885

“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.