SCHEMBL5080087

SCHEMBL5080087

C=CCNc1ncnc2c1ncn2C(CCO)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
CCNB2 O95067 8/20 0.41
CDK1 P06493 8/20 0.41
CCNB1 P14635 8/20 0.41
CCNB3 Q8WWL7 8/20 0.41
CDK2 P24941 2/20 0.41
RAB9A P51151 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.38
MAPK8 P45983 1/20 0.38
CSNK1A1 P48729 1/20 0.38

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
SCHEMBL5080062 0.88 CDK1 (0.45) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL5086065 0.86 ABL1 (0.38) ABL1RIN1CCNB2CDK1CCNB1
SCHEMBL5085944 0.85 LMNA (0.42) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL6055218 0.85 CDK1 (0.39) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL5082994 0.83 ABL1 (0.42) ABL1RIN1CCNB2CDK1CCNB1
SCHEMBL5082970 0.81 NR2F2 (0.43) ABL1RIN1
SCHEMBL5083017 0.81 ADORA1 (0.43) ABL1RIN1HTTTP53TSHR
SCHEMBL14175344 0.79 CDK1 (0.42) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL5082274 0.77 LMNA (0.39) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL5083593 0.77 DUT (0.38) CCNB2CDK1CCNB1CCNB3CDK2

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 ABL1 2347/4885RIN1 1635/4885CCNB2 428/4885

“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.