SCHEMBL6903378

SCHEMBL6903378

CN(C)c1ncnc2c1ncn2C(CO)CCO

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL6903372 0.90 CYP1A2 (0.49) CYP1A2CYP2D6MAPK1
SCHEMBL29782792 0.86 CYP1A2 (0.46) CYP1A2CYP2D6MAPK1
SCHEMBL29782769 0.85 ADA (0.47) CYP1A2CYP2D6MAPK1
SCHEMBL29782816 0.85 ADA (0.47) CYP1A2CYP2D6MAPK1
SCHEMBL6696336 0.81 FGFR1 (0.43) CYP1A2CYP2D6MAPK1
SCHEMBL6690025 0.81 HPRT1 (0.46) CYP1A2CYP2D6MAPK1
SCHEMBL29782858 0.79 FDPS (0.47)
SCHEMBL6693460 0.79 AHCY (0.37) CYP1A2
SCHEMBL6691656 0.78 AHCY (0.36) CYP1A2
SCHEMBL19662016 0.77 CYP1A2 (0.50) CYP1A2CYP2D6MAPK1

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-20040014722-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. 2004-01-22 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-20040014722-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases NSUN2, POLR2H, NSUN3 CYP1A2 1844/4885CYP2D6 2006/4885MAPK1 3093/4885

“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.