SCHEMBL5086381

SCHEMBL5086381

O=P(O)(O)COCCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1cnc2c(Nc3ccccc3)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 1/20 0.40
P2RX3 P56373 1/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HPRT1 P00492 1/20 0.37
CCNB2 O95067 4/20 0.36
CDK1 P06493 4/20 0.36
CCNB1 P14635 4/20 0.36
CCNB3 Q8WWL7 4/20 0.36
DNMT3B Q9UBC3 1/20 0.36
FGFR1 P11362 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL5083620 0.89 CCNB2 (0.39) DNPH1HPRT1CCNB2CDK1CCNB1
SCHEMBL5086049 0.88 NT5E (0.38) HPRT1FGFR1SLC22A6SRC
SCHEMBL5086065 0.87 ABL1 (0.38) DNPH1HPRT1CCNB2CDK1CCNB1
SCHEMBL5083530 0.86 NT5E (0.41) PMP22CYP1A2NFKB1THPO
SCHEMBL5083618 0.86 NT5E (0.40) PMP22CYP1A2NFKB1THPO
SCHEMBL5085944 0.85 LMNA (0.42) DNPH1HDAC1HDAC2CCNB2CDK1
SCHEMBL5085981 0.83 HPRT1 (0.37) HPRT1FGFR1SLC22A6LMNASMN1; SMN2
SCHEMBL6055298 0.79 CCNB2 (0.34) CCNB2CDK1CCNB1CCNB3MAPK1
SCHEMBL6055289 0.79 CCNB2 (0.36) CCNB2CDK1CCNB1CCNB3RAB9A
SCHEMBL14175343 0.75 CCNB2 (0.38) HDAC1CCNB2CDK1CCNB1CCNB3

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 DNPH1 566/4885P2RX3 1818/4885P2RX4 2679/4885

“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.