SCHEMBL7206719

SCHEMBL7206719

Cc1c(N=C(N)N)ccc2scnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.36
ADRA2B P18089 5/20 0.36
ADRA2C P18825 5/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
PLAU P00749 6/20 0.34
ATP4A P20648 5/20 0.33
ATP4B P51164 5/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HTR3E A5X5Y0 2/20 0.32
HTR3B O95264 2/20 0.32
HTR3A P46098 2/20 0.32
HTR3D Q70Z44 2/20 0.32
HTR3C Q8WXA8 2/20 0.32
SLC22A2 O15244 1/20 0.32

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
SCHEMBL6142194 0.81 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8581269 0.77 APLNR (0.34)
SCHEMBL5544044 0.72 ALDH1A1 (0.33) NPC1RAB9A
SCHEMBL8580366 0.72 CYP3A4 (0.34)
SCHEMBL7458773 0.71 ALDH1A1 (0.35) MAPTNPC1RAB9ANPSR1
SCHEMBL21741609 0.70 NPC1 (0.33) NPC1RAB9A
SCHEMBL7206716 0.69 NPC1 (0.33) NPC1RAB9A
SCHEMBL6129371 0.68 MAPT (0.41) MAPTNPC1RAB9A
SCHEMBL5544035 0.68 ALDH1A1 (0.33) NPC1RAB9ANPSR1
SCHEMBL30002773 0.68 MAPT (0.41) MAPTNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610720-B2 Administering to the patient an alpha-2 adrenoreceptor agonist for the treatment or prevention of emesis MERCK FROSST CANADA & CO. (CA) 2003-08-26 US disclosed
US-20020045565-A1 Method for treating or preventing emesis MERCK FROSST CANADA LTD. (CA) 2002-04-18 US 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-20020045565-A1 Method for treating or preventing emesis ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885ADRA2B 4/4885ADRA2C 3/4885

“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.