SCHEMBL6047294

SCHEMBL6047294

Nc1nc(C(=O)NCCc2ccccn2)cc2nc(-c3ccco3)nn12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.55
ADORA1 P30542 4/20 0.55
ADORA3 P0DMS8 3/20 0.55
ADORA2B P29275 3/20 0.55
ADA P00813 3/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 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
SCHEMBL6047384 0.85 NPC1 (0.54) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL6047211 0.83 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL6047319 0.82 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2BADA
Hydrochloric Acid SCHEMBL6047221 0.80 ADORA2A (0.53) ADORA2A
SCHEMBL931112 0.79 ADORA2A (0.81) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6047332 0.78 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2BADA
SCHEMBL6047173 0.78 ADORA2A (0.55) ADORA2A
SCHEMBL6047201 0.77 ADORA2A (0.50) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6047315 0.77 ADORA2A (0.61) ADORA2A
SCHEMBL6047175 0.77 ADORA2A (0.66) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-16 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-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA3 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.