SCHEMBL6364457

SCHEMBL6364457

CC(C)n1cnc2c(N(C)N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.61
ADORA2B P29275 2/20 0.61
ADORA1 P30542 2/20 0.61
PI4KA P42356 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61
PI4KB Q9UBF8 1/20 0.61
CDK1 P06493 11/20 0.45
CCNB1 P14635 10/20 0.45
CCNB2 O95067 9/20 0.45
CCNB3 Q8WWL7 9/20 0.45
CDK2 P24941 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK5 Q00535 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
SCHEMBL754049 0.87 ADORA2A (0.60) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL6363839 0.84 ADORA2A (0.58) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL6364195 0.81 ADORA2A (0.54) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL13244955 0.79 CDK2 (0.57) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL6439104 0.78 ADORA1 (0.58) ADORA2AADORA1CDK1CYP1A2CYP2D6
SCHEMBL22326756 0.77 CYP1A2 (0.55) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL754007 0.76 ADORA2A (1.00) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL13396186 0.76 ADORA2A (0.48) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL15387122 0.75 CDK1 (0.57) ADORA2AADORA2BADORA1PI4KAPI4K2B
Hydrochloric Acid SCHEMBL30881556 0.75 ADORA2A (0.96) ADORA2AADORA2BADORA1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759510-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2014-06-24 US disclosed
US-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES GILEAD PHARMASSET LLC (US) 2012-10-11 US disclosed
US-8173621-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2012-05-08 US disclosed
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PHARMASSET, INC. (US) 2010-04-01 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 (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-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP ADORA2A 102/4885ADORA2B 387/4885ADORA1 163/4885
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP ADORA2A 102/4885ADORA2B 387/4885ADORA1 163/4885

“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.