SCHEMBL6439104

SCHEMBL6439104

CN(N)c1ncnc2c1ncn2C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.58
ADORA2A P29274 1/20 0.58
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
MAPK1 P28482 1/20 0.51
YTHDC1 Q96MU7 1/20 0.50
CYP3A4 P08684 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
PMP22 Q01453 1/20 0.42
CDK1 P06493 3/20 0.40
CDK5 Q00535 1/20 0.38

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
SCHEMBL9604572 0.85 CYP1A2 (0.69) ADORA1ADORA2ACYP1A2CYP2D6MAPK1
SCHEMBL6438354 0.83 ADORA1 (0.54) ADORA1ADORA2ACYP1A2CYP2D6MAPK1
SCHEMBL6438168 0.79 ADORA1 (0.50) ADORA1ADORA2ACYP1A2CYP2D6MAPK1
SCHEMBL6364457 0.78 ADORA2A (0.61) ADORA1ADORA2ACYP1A2CYP2D6MAPK1
SCHEMBL14566369 0.76 CDK1 (0.51) ADORA1ADORA2ACYP1A2CYP2D6MAPK1
SCHEMBL13415584 0.73 YTHDC1 (0.45) ADORA1ADORA2ACYP1A2CYP2D6MAPK1
SCHEMBL106573 0.73 ADORA2A (1.00) ADORA1ADORA2AYTHDC1CDK1
SCHEMBL7147821 0.72 ADORA2A (0.96) ADORA1ADORA2AYTHDC1CDK1
SCHEMBL7140260 0.72 ADORA2A (0.96) ADORA1ADORA2AYTHDC1CDK1
SCHEMBL441875 0.71 ADORA1 (0.62) ADORA1ADORA2ACYP1A2CYP2D6MAPK1

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-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
WO-2007027248-A2 3', 5' - CYCLIC NUCLEOSIDE ANALOGUES FOR TREATMENT OF HCV VALEANT RESEARCH & DEVELOPMENT (US) 2007-03-08 WO 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 ADORA1 163/4885ADORA2A 102/4885CYP1A2 4059/4885
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP ADORA1 163/4885ADORA2A 102/4885CYP1A2 4059/4885

“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.