SCHEMBL2492626

SCHEMBL2492626

Nc1cc(-c2nccs2)c2c(n1)[N]C=N2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
PDPK1 O15530 1/20 0.31
HPGD P15428 1/20 0.31
CHEK2 O96017 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL2498595 0.75 CYP17A1 (0.38) HSP90AA1ADORA2AADORA1LOXL2PDPK1
SCHEMBL1033845 0.75 NPC1 (0.43) ADORA2AADORA1ALDH1A1TSHRHSD17B10
SCHEMBL1021932 0.75 ADORA2A (0.50) HSP90AA1ADORA2AADORA1ALDH1A1TSHR
SCHEMBL2493845 0.73 HSP90AA1 (0.40) HSP90AA1ADORA2AADORA1ALDH1A1TSHR
SCHEMBL1023706 0.66 CHRM4 (0.35) HSP90AA1ADORA2AADORA1LOXL2PDPK1
SCHEMBL5017807 0.64 ADORA2A (0.49) HSP90AA1ADORA2AADORA1ALDH1A1TSHR
SCHEMBL18675868 0.63 HSP90AA1 (0.47) HSP90AA1ADORA2AADORA1ALDH1A1TSHR
SCHEMBL5157931 0.62 ALDH1A1 (0.43) HSP90AA1ADORA2AADORA1ALDH1A1TSHR
SCHEMBL1489975 0.62 HSP90AA1 (0.54) HSP90AA1ADORA2AADORA1ALDH1A1TSHR
SCHEMBL2489977 0.60 PDPK1 (0.52) HSP90AA1ADORA2AADORA1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1970445-B1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS RIKEN (JP) 2012-09-26 EP claimed
US-8030478-B2 Method for nucleic acid replication and novel artificial base pairs RIKEN (JP) 2011-10-04 US claimed
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS RIKEN (JP) 2010-02-11 US claimed
EP-1970445-A1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS Riken (JP) 2008-09-17 EP claimed
EP-1970445-B1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS RIKEN (JP) 2012-09-26 EP disclosed
US-8030478-B2 Method for nucleic acid replication and novel artificial base pairs RIKEN (JP) 2011-10-04 US disclosed
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS RIKEN (JP) 2010-02-11 US disclosed
EP-1970445-A1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS Riken (JP) 2008-09-17 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 (1 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-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS POLM, POLL, POLRMT HSP90AA1 2668/4885ADORA2A 978/4885ADORA1 1354/4885

“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.