SCHEMBL57491

SCHEMBL57491

c1ccc(N(CCN(c2ccccn2)c2ccccn2)c2ccccn2)nc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.80
CYP2C19 P33261 2/20 0.80
HDAC1 Q13547 7/20 0.53
HDAC6 Q9UBN7 6/20 0.53
HDAC2 Q92769 5/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
CHRM2 P08172 3/20 0.46
ADRA2A P08913 3/20 0.46
DRD1 P21728 3/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
KCNH2 Q12809 3/20 0.46
ADRA1A P35348 2/20 0.46
ADRA2B P18089 2/20 0.46
HTR2A P28223 2/20 0.46
HRH1 P35367 2/20 0.46
ADRA2C P18825 1/20 0.46

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
SCHEMBL229946 0.87 CYP2D6 (0.69) CYP2D6CYP2C19HDAC1HDAC6HDAC2
SCHEMBL11701437 0.87 CYP2D6 (0.63) CYP2D6CYP2C19HDAC1HDAC6HDAC2
SCHEMBL31539931 0.87 CYP2D6 (0.63) CYP2D6CYP2C19HDAC1HDAC6HDAC2
SCHEMBL30143833 0.87 CYP2D6 (0.69) CYP2D6CYP2C19HDAC1HDAC6HDAC2
SCHEMBL3469210 0.85 CYP2D6 (0.61) CYP2D6CYP2C19HDAC1HDAC6HDAC2
SCHEMBL8507125 0.83 CYP2D6 (0.59) CYP2D6CYP2C19HDAC1HDAC6HDAC2
SCHEMBL28366068 0.83 CYP2D6 (0.65) CYP2D6CYP2C19HDAC1HDAC6HDAC2
SCHEMBL1968010 0.83 CYP2D6 (0.59) CYP2D6CYP2C19HDAC1HDAC6HDAC2
SCHEMBL30142907 0.82 CYP2D6 (0.58) CYP2D6CYP2C19HDAC1HDAC6HDAC2
SCHEMBL14720136 0.82 CYP2C19 (0.62) CYP2D6CYP2C19HDAC1HDAC6HDAC2

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-2075245-B1 Two-photon probe for real-time monitoring of intracellular calcium ions, method for preparing the probe and method for real-time monitoring of intracellular calcium ions using the probe UNIV KOREA IND & ACAD COOP (KR) 2014-12-31 EP disclosed
US-8129137-B2 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe KOREA UNIVERSITY INDUSTRIAL & ACADEMIC COLLABORATION FOUNDATION (KR) 2012-03-06 US disclosed
US-8084647-B2 Two-photon probe for real-time monitoring of intracellular calcium ions, method for preparing the probe and method for real-time monitoring of intracellular calcium ions using the probe Korea University Industry and Academy Cooperation Foundation (KR) 2011-12-27 US disclosed
EP-2119456-B1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe UNIV IND & ACAD COLLABORATION (KR) 2011-07-20 EP disclosed
US-20090286275-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe SFC CO., LTD. (KR) 2009-11-19 US disclosed
EP-2119456-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe Korea University Industrial & Academic Collaboration Foundation (KR) 2009-11-18 EP disclosed
EP-2075245-A2 Two-photon probe for real-time monitoring of intracellular calcium ions, method for preparing the probe and method for real-time monitoring of intracellular calcium ions using the probe Korea University Industry and Academy Cooperation Foundation (KR) 2009-07-01 EP disclosed
WO-2009031734-A1 TWO-PHOTON PROBE FOR REAL-TIME MONITORING OF INTRACELLULAR CALCIUM IONS, METHOD FOR PREPARING THE PROBE AND METHOD FOR REAL-TIME MONITORING OF INTRACELLULAR CALCIUM IONS USING THE PROBE KOREA UNIVERSITY INDUSTRIAL & ACADEMIC COLLABORATION FOUNDATION (KR) 2009-03-12 WO 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-20090286275-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe SLC39A3, SLC30A7, SLC39A7 CYP2D6 2429/4885CYP2C19 3253/4885HDAC1 3013/4885

“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.