SCHEMBL5083000

SCHEMBL5083000

CCC(O)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1cnc2c(NC3CC3)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
ADORA3 P0DMS8 9/20 0.41
ADORA2A P29274 9/20 0.41
ADORA2B P29275 9/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39

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
SCHEMBL5082973 0.96 ADORA1 (0.46) ADORA1CYP1A2CYP3A4CYP2D6PKM
SCHEMBL5083021 0.96 ADORA1 (0.47) ADORA1CYP1A2CYP3A4CYP2D6PKM
SCHEMBL5080069 0.86 CDK1 (0.40) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5086064 0.83 TAS1R3 (0.38) ADORA1CYP1A2CYP3A4CYP2D6PKM
SCHEMBL5080090 0.82 RAB9A (0.40) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL5083644 0.80 ADORA1 (0.41) ADORA1CYP1A2CYP3A4CYP2D6PKM
SCHEMBL5083566 0.80 TAS1R3 (0.42) ADORA1CYP1A2CYP3A4CYP2D6PKM
SCHEMBL5082276 0.79 SMN1; SMN2 (0.40) CYP1A2CYP2D6ADORA2AKDM4ESMN1; SMN2
SCHEMBL5082994 0.73 ABL1 (0.42) ADORA1CYP1A2CYP3A4CYP2D6PKM
SCHEMBL5082970 0.70 NR2F2 (0.43) ADORA1CYP1A2CYP3A4CYP2D6PKM

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-7388002-B2 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
US-20060122391-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2006-06-08 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-20060122391-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases POLR2H, NSUN2, POLR2E ADORA1 1330/4885CYP1A2 1053/4885CYP3A4 941/4885

“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.