SCHEMBL2498595

SCHEMBL2498595

C1=Nc2c(-c3nccs3)ccnc2[N]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.38
PDPK1 O15530 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
HSP90AA1 P07900 1/20 0.37
ADRB2 P07550 1/20 0.35
CYP2A6 P11509 1/20 0.34
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
TGFBR1 P36897 1/20 0.32
SYK P43405 3/20 0.32
SRC P12931 2/20 0.32
ZAP70 P43403 1/20 0.32
RAB9A P51151 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 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
SCHEMBL2492626 0.75 HSP90AA1 (0.36) PDPK1LOXL2HSP90AA1ADORA1ADORA2A
SCHEMBL1023706 0.73 CHRM4 (0.35) PDPK1LOXL2HSP90AA1CYP2A6ADORA1
SCHEMBL2495521 0.70 HSP90AA1 (0.40) CYP17A1PDPK1LOXL2HSP90AA1ADRB2
SCHEMBL1021932 0.67 ADORA2A (0.50) PDPK1LOXL2HSP90AA1TGFBR1ADORA1
SCHEMBL5692672 0.65 PDPK1 (0.64) PDPK1LOXL2HSP90AA1ADRB2CYP2A6
SCHEMBL12212666 0.65 HSP90AA1 (0.49) CYP17A1PDPK1LOXL2HSP90AA1ADRB2
SCHEMBL1951149 0.64 PDPK1 (0.61) PDPK1LOXL2HSP90AA1ADRB2CYP2A6
SCHEMBL102331 0.63 PDPK1 (0.59) PDPK1LOXL2HSP90AA1ADRB2CYP2A6
Hydrochloric Acid SCHEMBL30518655 0.63 HSP90AA1 (0.47) CYP17A1PDPK1LOXL2HSP90AA1ADRB2
SCHEMBL23291989 0.61 PDPK1 (0.56) PDPK1LOXL2HSP90AA1CYP2A6ESR1

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 CYP17A1 4305/4885PDPK1 3161/4885LOXL2 4311/4885

“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.