SCHEMBL12198652

SCHEMBL12198652

NCCCNc1ccc2ccc(NCCCN)nc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.56
STK17A Q9UEE5 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
HRH4 Q9H3N8 2/20 0.41
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TLR8 Q9NR97 2/20 0.39
NUDT1 P36639 1/20 0.39
CHEK1 O14757 2/20 0.37
CDK7 P50613 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 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
SCHEMBL29445680 1.00 HRH3 (0.56) HRH3STK17AIRAK4HRH4PIM1
SCHEMBL16019054 0.94 HRH3 (0.50) HRH3STK17AIRAK4HRH4PIM1
SCHEMBL16019055 0.91 TLR8 (0.51) HRH3STK17AIRAK4HRH4MEN1
SCHEMBL16019053 0.86 TLR8 (0.46) HRH3TLR8
SCHEMBL2907513 0.84 HRH3 (0.43) HRH3STK17AIRAK4HRH4PIM1
SCHEMBL5943488 0.78 NCF1 (0.52) HRH3IRAK4HRH4PIM1PIM2
SCHEMBL29625898 0.74 SYK (0.44) HRH3IRAK4MEN1ALDH1A1HPGD
SCHEMBL31648525 0.74 TLR8 (0.49) HRH3TLR8
SCHEMBL8354796 0.73 NCF1 (0.50) HRH3HRH4HPGDHSD17B10
SCHEMBL31742466 0.72 HRH3 (0.51) HRH3STK17AIRAK4HRH4PIM1

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
US-20170268042-A1 PCR METHOD AND PCR KIT OSAKA UNIVERSITY (JP) 2017-09-21 US disclosed
US-20170268042-A1 PCR METHOD AND PCR KIT OSAKA UNIVERSITY (JP) 2017-09-21 US disclosed
US-9057105-B2 Method for detecting single nucleotide polymorphism in nucleic acid FURUKAWA ELECTRIC ADVANCED ENGINEERING CO., LTD. (JP) 2015-06-16 US disclosed
US-9057105-B2 Method for detecting single nucleotide polymorphism in nucleic acid FURUKAWA ELECTRIC ADVANCED ENGINEERING CO., LTD. (JP) 2015-06-16 US disclosed
US-9057105-B2 Method for detecting single nucleotide polymorphism in nucleic acid FURUKAWA ELECTRIC ADVANCED ENGINEERING CO., LTD. (JP) 2015-06-16 US disclosed
US-8911947-B2 DNA fragment used as attached to 5′ end of primer used in nucleic acid amplification reaction and use of DNA fragment FURUKAWA ELECTRIC ADVANCED ENGINEERING CO., LTD. (JP) 2014-12-16 US disclosed
US-8911947-B2 DNA fragment used as attached to 5′ end of primer used in nucleic acid amplification reaction and use of DNA fragment FURUKAWA ELECTRIC ADVANCED ENGINEERING CO., LTD. (JP) 2014-12-16 US disclosed
US-20140255938-A1 METHOD FOR DETECTING SINGLE NUCLEOTIDE POLYMORPHISM IN NUCLEIC ACID OSAKA UNIVERSITY (JP) 2014-09-11 US disclosed
US-20140255938-A1 METHOD FOR DETECTING SINGLE NUCLEOTIDE POLYMORPHISM IN NUCLEIC ACID OSAKA UNIVERSITY (JP) 2014-09-11 US disclosed
US-20140255938-A1 METHOD FOR DETECTING SINGLE NUCLEOTIDE POLYMORPHISM IN NUCLEIC ACID OSAKA UNIVERSITY (JP) 2014-09-11 US disclosed
EP-2058392-B1 DNA FRAGMENT USED IN THE FORM ATTACHED TO 5'-TERMINUS OF PRIMER FOR USE IN AMPLIFICATION REACTION OF NUCLEIC ACID, AND USE THEREOF UNIV OSAKA (JP) 2011-10-12 EP disclosed
US-20100015618-A1 DNA FRAGMENT USED AS ATTACHED TO 5' END OF PRIMER USED IN NUCLEIC ACID AMPLIFICATION REACTION AND USE OF DNA FRAGMENT OSAKA UNIVERSITY (JP) 2010-01-21 US disclosed
US-20100015618-A1 DNA FRAGMENT USED AS ATTACHED TO 5' END OF PRIMER USED IN NUCLEIC ACID AMPLIFICATION REACTION AND USE OF DNA FRAGMENT OSAKA UNIVERSITY (JP) 2010-01-21 US disclosed
EP-2058392-A1 DNA FRAGMENT USED IN THE FORM ATTACHED TO 5'-TERMINUS OF PRIMER FOR USE IN AMPLIFICATION REACTION OF NUCLEIC ACID, AND USE THEREOF Osaka University (JP) 2009-05-13 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-20100015618-A1 DNA FRAGMENT USED AS ATTACHED TO 5' END OF PRIMER USED IN NUCLEIC ACID AMPLIFICATION REACTION AND USE OF DNA FRAGMENT PCNA, APEX1, RNGTT HRH3 2165/4885STK17A 4253/4885IRAK4 1199/4885

“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.