SCHEMBL16949893

SCHEMBL16949893

Nn1cnc2c(Br)ncnc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.37
▸ ADORA1 P30542 11/20 0.37
▸ PI4KA P42356 7/20 0.34
▸ PI4K2B Q8TCG2 7/20 0.34
▸ PI4K2A Q9BTU6 7/20 0.34
▸ PI4KB Q9UBF8 7/20 0.34
▸ ADORA2B P29275 7/20 0.34
▸ AHCY P23526 1/20 0.33
▸ ADORA3 P0DMS8 4/20 0.33
▸ EGFR P00533 1/20 0.33
▸ NSD2 O96028 1/20 0.32
▸ NSD3 Q9BZ95 1/20 0.32
▸ YTHDC1 Q96MU7 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
SCHEMBL5801450 0.75 ADORA1 (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1868819 0.75 FDPS (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL16949944 0.75 ADORA2A (0.37) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL15829723 0.75 ADORA2A (0.37) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL24239183 0.71 CYP1A2 (0.54) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5699095 0.71 FLT4 (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL23771392 0.71 YTHDC1 (0.66) ADORA2AADORA1ADORA2BAHCYADORA3
SCHEMBL7668705 0.68 ADORA2A (0.41) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL4563686 0.67 ADORA2A (0.41) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL30586386 0.67 NPC1 (0.52) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253360-B2 BNA clamp method BNA INC. (JP) 2019-04-09 — — US disclosed
EP-2902499-B1 BNA CLAMP METHOD BNA INC (JP) 2018-09-12 — — EP disclosed
EP-2902499-A9 BNA CLAMP METHOD BNA Inc. (JP) 2015-10-07 — — EP disclosed
US-20150240299-A1 BNA CLAMP METHOD BNA INC. (JP) 2015-08-27 — — US disclosed
EP-2902499-A1 BNA CLAMP METHOD BNA Inc. (JP) 2015-08-05 — — 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 (2 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-10253360-B2 BNA clamp method SLC28A1, SLC28A2, NAAA ADORA2A 746/4885ADORA1 316/4885PI4KA 4104/4885
US-20150240299-A1 BNA CLAMP METHOD SLC28A1, SLC28A2, NAAA ADORA2A 746/4885ADORA1 316/4885PI4KA 4104/4885

“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.

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