SCHEMBL16707341

SCHEMBL16707341

CC(C)n1c(CN)nc2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 14/20 0.63
▸ ADORA1 P30542 14/20 0.63
▸ ADORA2B P29275 10/20 0.63
▸ ADORA3 P0DMS8 4/20 0.63
▸ PI4KA P42356 4/20 0.47
▸ PI4K2B Q8TCG2 4/20 0.47
▸ PI4K2A Q9BTU6 4/20 0.47
▸ PI4KB Q9UBF8 4/20 0.47
▸ HSP90B1 P14625 3/20 0.42
▸ RET P07949 1/20 0.41

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
SCHEMBL18510391 0.78 ADORA2A (0.67) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL17900222 0.75 HSP90AA1 (0.68) ADORA2AADORA1ADORA2BADORA3PI4KB
SCHEMBL4054756 0.72 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL17897955 0.71 HSP90AA1 (0.61) ADORA2AADORA1ADORA2BADORA3PI4KB
SCHEMBL22381523 0.70 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL22571151 0.70 ADORA2A (0.70) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL31061588 0.70 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3HSP90B1
SCHEMBL8046656 0.68 ADORA2A (0.44) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL8039378 0.68 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL13977903 0.68 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3PI4KA

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-9512163-B2 Compositions and methods for conjugating oligonucleotides AGILENT TECHNOLOGIES, INC. (US) 2016-12-06 — — US disclosed
US-20150133631-A1 Compositions and Methods for Conjugating Oligonucleotides AGILENT TECHNOLOGIES, INC. 2015-05-14 — — 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-20150133631-A1 Compositions and Methods for Conjugating Oligonucleotides DCLRE1A, NR0B1, NR0B2 ADORA2A 1761/4885ADORA1 1116/4885ADORA2B 2316/4885

“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.

Send feedback