SCHEMBL1033845

SCHEMBL1033845

Nc1cc(-c2cccs2)c2c(n1)[N]C=N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
PIM1 P11309 1/20 0.40
TDO2 P48775 1/20 0.40
KDM4E B2RXH2 8/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
MAPT P10636 5/20 0.37
GAA P10253 3/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 3/20 0.36

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 0.77 ADORA2A (0.51) NPC1RAB9AHSD17B10CYP1A2CYP3A4
SCHEMBL2497304 0.75 KDM4E (0.38) NPC1RAB9AHSD17B10CYP1A2CYP3A4
SCHEMBL2492626 0.75 HSP90AA1 (0.36) HSD17B10CYP1A2ADORA2AADORA1ALDH1A1
SCHEMBL2493833 0.73 NPC1 (0.43) NPC1RAB9AATMHSD17B10CYP1A2
SCHEMBL11904112 0.71 ADORA2A (0.43) NPC1RAB9AHSD17B10CYP1A2CYP3A4
SCHEMBL28111041 0.67 ADORA2A (0.58) NPC1RAB9AATMHSD17B10ADORA2A
SCHEMBL11904077 0.67 DPP4 (0.38) NPC1RAB9AHSD17B10PIM1KDM4E
SCHEMBL1023476 0.66 RPS6KB2 (0.37) NPC1RAB9AHSD17B10CYP1A2CYP3A4
SCHEMBL2439328 0.65 NPC1 (0.52) NPC1RAB9AATMHSD17B10CYP1A2
SCHEMBL16600073 0.65 KCNH2 (0.55) NPC1RAB9AATMHSD17B10CYP1A2

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 14 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-20110053782-A1 NOVEL DNA CAPABLE OF BEING AMPLIFIED BY PCR WITH HIGH SELECTIVITY AND HIGH EFFICIENCY RIKEN (JP) 2011-03-03 US disclosed
US-20110053782-A1 NOVEL DNA CAPABLE OF BEING AMPLIFIED BY PCR WITH HIGH SELECTIVITY AND HIGH EFFICIENCY RIKEN (JP) 2011-03-03 US disclosed
CN-101981186-A Novel DNA capable of being amplified by PCR with high selectivity and high efficiency RIKEN 2011-02-23 CN disclosed
EP-2275538-A1 NOVEL DNA CAPABLE OF BEING AMPLIFIED BY PCR WITH HIGH SELECTIVITY AND HIGH EFFICIENCY Riken (JP) 2011-01-19 EP disclosed
EP-2275538-A1 NOVEL DNA CAPABLE OF BEING AMPLIFIED BY PCR WITH HIGH SELECTIVITY AND HIGH EFFICIENCY Riken (JP) 2011-01-19 EP disclosed
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS RIKEN (JP) 2010-02-11 US disclosed
WO-2009123216-A1 NOVEL DNA CAPABLE OF BEING AMPLIFIED BY PCR WITH HIGH SELECTIVITY AND HIGH EFFICIENCY 独立行政法人理化学研究所 (JP) 2009-10-08 WO 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 (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-20110053782-A1 NOVEL DNA CAPABLE OF BEING AMPLIFIED BY PCR WITH HIGH SELECTIVITY AND HIGH EFFICIENCY POLRMT, POLN, POLL NPC1 2976/4885RAB9A 3783/4885ATM 2214/4885
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS POLM, POLL, POLRMT NPC1 4275/4885RAB9A 3743/4885ATM 3782/4885

“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.