SCHEMBL5085944

SCHEMBL5085944

OCCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1cnc2c(Nc3ccccc3)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
RAB9A P51151 1/20 0.42
SLC29A1 Q99808 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
CDK1 P06493 5/20 0.41
CCNB2 O95067 3/20 0.41

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
SCHEMBL6055218 0.88 CDK1 (0.39) HTTMAPK1RAB9ACDK1CCNB2
SCHEMBL5080062 0.87 CDK1 (0.45) HTTMAPK1RAB9ACDK1CCNB2
SCHEMBL5082994 0.86 ABL1 (0.42) PMP22CYP1A2NFKB1THPOCDK1
SCHEMBL5080087 0.85 ABL1 (0.42) LMNAHTTMAPK1SMN1; SMN2NPC1
SCHEMBL5086381 0.85 DNPH1 (0.40) LMNAHTTMAPK1ALDH1A1GLA
SCHEMBL5083017 0.84 ADORA1 (0.43) HTTPMP22SLC29A1RXFP1CYP1A2
SCHEMBL5082970 0.84 NR2F2 (0.43) PMP22CYP1A2NFKB1THPO
SCHEMBL14175344 0.82 CDK1 (0.42) MAPK1CDK1CCNB2CCNB1CCNB3
SCHEMBL5082274 0.80 LMNA (0.39) LMNASMN1; SMN2CDK1CCNB2CCNB1
SCHEMBL5083593 0.80 DUT (0.38) CDK1CCNB2CCNB1CCNB3CDK2

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 LMNA 2297/4885HTT 3346/4885MAPK1 3731/4885

“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.