SCHEMBL4570528

SCHEMBL4570528

CC[C@@H](O)Cn1cnc2c(C)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.54
AHCY P23526 4/20 0.54
ADORA1 P30542 4/20 0.51
ALDH1A1 P00352 1/20 0.45
PI4KA P42356 2/20 0.43
PI4K2B Q8TCG2 2/20 0.43
PI4K2A Q9BTU6 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
FDPS P14324 1/20 0.42
ADORA2B P29275 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
P2RY1 P47900 1/20 0.38
HTR2C P28335 1/20 0.38
TSHR P16473 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
SCHEMBL14963614 0.84 ADORA2A (0.76) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL13394189 0.84 ADORA2A (0.76) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL11597828 0.84 FDPS (0.60) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL14190719 0.79 ADORA2A (0.66) ADORA2AAHCYADORA1PI4KAPI4K2B
SCHEMBL14963615 0.75 CA2 (0.49) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL19242631 0.74 ADORA2A (0.66) ADORA2AAHCYADORA1PI4KAPI4K2B
SCHEMBL23080191 0.74 AHCY (0.42) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL16603993 0.73 AHCY (0.85) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL22326754 0.73 ADORA2A (0.69) ADORA2AADORA1ALDH1A1PI4KAPI4K2B
SCHEMBL13394190 0.72 ADORA2A (0.72) ADORA2AAHCYADORA1ALDH1A1PI4KA

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-20170189430-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-07-06 US disclosed
US-8318700-B2 Lung-targeted drugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 US disclosed
US-20120122818-A1 LUNG-TARGETED DRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-17 US disclosed
US-8101745-B2 Conjugate cidofovir, idoxuridine, vidarabine, trifluridine, acyclovir, famciclovir penciclovir, valacyclovir, ganciclovir, antiviral, antimicrobial, cancer drug of interest to glycerol ethers or glycerol phosphate ethers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-24 US disclosed
US-20080221061-A1 Lung-Targeted Drugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-11 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 (3 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-20170189430-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP ADORA2A 119/4885AHCY 552/4885ADORA1 231/4885
US-20080221061-A1 Lung-Targeted Drugs DGKG, GK, PHOSPHO1 ADORA2A 3860/4885AHCY 3623/4885ADORA1 4396/4885
US-20120122818-A1 LUNG-TARGETED DRUGS DGKG, GK, PHOSPHO1 ADORA2A 3860/4885AHCY 3623/4885ADORA1 4396/4885

“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.