SCHEMBL533520

SCHEMBL533520

[c]1ccc(-c2nccs2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.40
CYP2A6 P11509 1/20 0.40
HSP90AA1 P07900 1/20 0.39
ADORA2A P29274 8/20 0.39
ADORA1 P30542 7/20 0.39
ADRB2 P07550 1/20 0.37
RAB9A P51151 1/20 0.37
SMPD3 Q9NY59 1/20 0.36
METAP1 P53582 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NOS1 P29475 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ECE1 P42892 1/20 0.33
ADORA3 P0DMS8 3/20 0.33
ADORA2B P29275 3/20 0.33

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
SCHEMBL102331 0.71 PDPK1 (0.59) PDPK1LOXL2CYP2A6HSP90AA1ADORA2A
SCHEMBL3596326 0.70 CYP2A6 (0.35) CYP2A6ADRB2RAB9ANOS1
SCHEMBL28154527 0.69 PDPK1 (0.56) PDPK1LOXL2CYP2A6HSP90AA1ADORA2A
SCHEMBL30534095 0.69 PDPK1 (0.56) PDPK1LOXL2CYP2A6HSP90AA1ADORA2A
SCHEMBL31556353 0.69 PDPK1 (0.56) PDPK1LOXL2CYP2A6HSP90AA1ADORA2A
SCHEMBL30632310 0.69 PDPK1 (0.56) PDPK1LOXL2CYP2A6HSP90AA1ADORA2A
SCHEMBL6206 0.68 PDPK1 (0.63) PDPK1LOXL2CYP2A6HSP90AA1ADORA2A
SCHEMBL2407299 0.68 PDPK1 (0.42) PDPK1LOXL2CYP2A6HSP90AA1ADORA2A
SCHEMBL722198 0.67 PDPK1 (0.77) PDPK1LOXL2CYP2A6HSP90AA1ADORA2A
SCHEMBL4648 0.67 PDPK1 (0.56) PDPK1LOXL2CYP2A6HSP90AA1RAB9A

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2487180-B1 NOVEL ARTIFICIAL FLUORESCENT BASES RIKEN (JP) 2014-12-03 EP claimed
US-8895712-B2 Artificial base pair capable of forming specific base pair RIKEN (JP) 2014-11-25 US claimed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US claimed
US-20120245340-A1 NOVEL ARTIFICIAL FLUORESCENT BASES TAGCYX BIOTECHNOLOGIES (JP) 2012-09-27 US claimed
US-20120231462-A1 ARTIFICIAL BASE PAIR CAPABLE OF FORMING SPECIFIC BASE PAIR TAGCYX BIOTECHNOLOGIES (JP) 2012-09-13 US claimed
EP-2487180-A1 NOVEL ARTIFICIAL FLUORESCENT BASES Riken (JP) 2012-08-15 EP claimed
EP-2487181-A1 ARTIFICIAL BASE PAIR CAPABLE OF FORMING SPECIFIC BASE PAIR Riken (JP) 2012-08-15 EP claimed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US claimed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN claimed
US-9285319-B2 Nucleic acid base analogs with quenching and fluorescent activities and applications thereof RIKEN (JP) 2016-03-15 US disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
EP-2487180-B1 NOVEL ARTIFICIAL FLUORESCENT BASES RIKEN (JP) 2014-12-03 EP disclosed
US-8895712-B2 Artificial base pair capable of forming specific base pair RIKEN (JP) 2014-11-25 US disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
WO-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN disclosed
CN-1240707-C 2-Halo-6-0-substituted ketolide derivatives ABBOTT LAB (US) 2006-02-08 CN disclosed
CN-1283199-A 2-Halo-6-0-substituted ketolide derivatives ABBOTT LAB (US) 2001-02-07 CN 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 (4 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-20120231462-A1 ARTIFICIAL BASE PAIR CAPABLE OF FORMING SPECIFIC BASE PAIR NSUN2, EIF2AK2, NSUN3 PDPK1 4615/4885LOXL2 2936/4885CYP2A6 3732/4885
US-20120245340-A1 NOVEL ARTIFICIAL FLUORESCENT BASES NUDT1, NT5C3B, NSUN2 PDPK1 4122/4885LOXL2 4768/4885CYP2A6 3350/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PDPK1 2833/4885LOXL2 395/4885CYP2A6 215/4885
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK PDPK1 3670/4885LOXL2 2370/4885CYP2A6 76/4885

“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.