SCHEMBL21275931

SCHEMBL21275931

CCn1cnc2c(NCSC)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.59
▸ ADORA1 P30542 6/20 0.59
▸ TMIGD3 P0DMS9 4/20 0.59
▸ ADORA2B P29275 2/20 0.59
▸ PI4KA P42356 1/20 0.53
▸ PI4K2B Q8TCG2 1/20 0.53
▸ PI4K2A Q9BTU6 1/20 0.53
▸ PI4KB Q9UBF8 1/20 0.53
▸ RAB9A P51151 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PDE4A P27815 3/20 0.43
▸ PDE4B Q07343 3/20 0.43
▸ PDE4C Q08493 3/20 0.43
▸ PDE4D Q08499 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL22326727 0.82 ADORA2A (0.69) ADORA2AADORA1TMIGD3ADORA2BPI4KA
SCHEMBL18548917 0.80 YTHDC1 (0.62) ADORA2AADORA1TMIGD3ADORA2BPI4KA
SCHEMBL22326729 0.79 ADORA2A (0.66) ADORA2AADORA1TMIGD3ADORA2BPI4KA
SCHEMBL5051776 0.77 ADORA2A (0.60) ADORA2AADORA1TMIGD3ADORA2BPI4KA
SCHEMBL22571186 0.76 TMIGD3 (0.81) ADORA2AADORA1TMIGD3ADORA2BRAB9A
SCHEMBL23228237 0.73 CYP1A2 (0.72) ADORA2AADORA1TMIGD3ADORA2BPI4KA
SCHEMBL21943144 0.73 ADORA2A (0.64) ADORA2AADORA1TMIGD3ADORA2BPI4KA
SCHEMBL12825351 0.73 ADORA2A (0.64) ADORA2AADORA1TMIGD3ADORA2BPI4KA
SCHEMBL20097160 0.72 CCNB2 (0.69) ADORA2AADORA1TMIGD3ADORA2BRAB9A
SCHEMBL24196755 0.72 ADORA2A (0.53) ADORA2AADORA1TMIGD3ADORA2BPI4KA

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-10385090-B2 Nucleotide derivative or salt thereof, nucleotide-derived 5′-phosphate ester or salt thereof, nucleotide-derived 3′-phosphoramidite compound or salt thereof, and polynucleotide NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-08-20 — — 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-10385090-B2 Nucleotide derivative or salt thereof, nucleotide-derived 5′-phosphate ester or salt thereof, nucleotide-derived 3′-phosphoramidite compound or salt thereof, and polynucleotide SLC34A1, SLC34A2, SLC34A3 ADORA2A 511/4885ADORA1 132/4885TMIGD3 4335/4885

“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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