SCHEMBL5086004

SCHEMBL5086004

CCN(CC)c1ncnc2c1ncn2C(CC)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
ENTPD3 O75355 1/20 0.36
NT5E P21589 1/20 0.36
ENPP1 P22413 1/20 0.36
ENTPD1 P49961 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 2/20 0.33
RGS12 O14924 1/20 0.33
CYP2C9 P11712 1/20 0.33
GNAI1 P63096 1/20 0.33
TYMP P19971 1/20 0.32

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
SCHEMBL5083648 0.85 DNPH1 (0.37) NT5EADORA2ATYMP
SCHEMBL5086082 0.81 NPC1 (0.36) ALOX15NT5ELMNASMN1; SMN2ADORA2A
SCHEMBL5082276 0.81 SMN1; SMN2 (0.40) KDM4EMEN1CYP1A2CYP2D6ALOX15
SCHEMBL5083644 0.81 ADORA1 (0.41) CYP1A2CYP2D6NT5EADORA2ACYP3A4
SCHEMBL5083566 0.81 TAS1R3 (0.42) CYP1A2CYP2D6NT5EADORA2ACYP3A4
SCHEMBL5082477 0.74 FAP (0.39) KDM4EMEN1CYP1A2CYP2D6ALOX15
SCHEMBL5085981 0.74 HPRT1 (0.37) KDM4EMEN1CYP1A2CYP2D6ALOX15
SCHEMBL5082274 0.67 LMNA (0.39) LMNASMN1; SMN2ADORA2ATP53MAPT
SCHEMBL5086450 0.67 DNPH1 (0.38) SRCFGFR1
SCHEMBL5086069 0.66 PI4KA (0.43) CYP2D6ENPP1CYP3A4PI4KAPI4K2B

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 KDM4E 1919/4885MEN1 4083/4885CYP1A2 1053/4885

“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.