SCHEMBL21078678

SCHEMBL21078678

CCn1cnc2c(NC(=O)OC(C)(C)C)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.46
▸ ADORA1 P30542 4/20 0.46
▸ TMIGD3 P0DMS9 3/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ PI4KA P42356 2/20 0.46
▸ PI4K2B Q8TCG2 2/20 0.46
▸ PI4K2A Q9BTU6 2/20 0.46
▸ PI4KB Q9UBF8 2/20 0.46
▸ SLC29A1 Q99808 1/20 0.42
▸ P2RY1 P47900 2/20 0.42
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ FGFR1 P11362 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL24540240 0.88 TDP1 (0.42) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL12379187 0.83 YTHDC1 (0.54) ADORA2AADORA1SLC29A1P2RY1AURKA
SCHEMBL21078636 0.80 CCNB2 (0.50) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL29863356 0.77 SLC29A1 (0.43) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL13717456 0.75 NPSR1 (0.40) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL20008181 0.75 ADORA2A (0.58) ADORA2AADORA1TMIGD3ADORA2BPI4KA
SCHEMBL15731593 0.74 ADORA1 (0.64) ADORA1
SCHEMBL15720991 0.74 ADORA1 (0.64) ADORA1
SCHEMBL9435466 0.74 CCNE2 (0.47) ADORA2AADORA1TMIGD3ADORA2BSLC29A1
SCHEMBL25222870 0.74 CCNE2 (0.42) ADORA2AADORA1TMIGD3ADORA2BHDAC1

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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-06-06 — — 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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ADORA2A 71/4885ADORA1 114/4885TMIGD3 2718/4885

“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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