SCHEMBL5201806

SCHEMBL5201806

C[Si](C)(C)Oc1nc(N)nc2nc[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 16/20 0.65
CCNB1 P14635 16/20 0.65
CCNA2 P20248 15/20 0.65
CDK2 P24941 15/20 0.65
CCNA1 P78396 15/20 0.65
PIN1 Q13526 3/20 0.61
MGMT P16455 7/20 0.58
PDPK1 O15530 1/20 0.56
GDA Q9Y2T3 1/20 0.56
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
CYP2C19 P33261 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55

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
Methylguanine SCHEMBL231097 0.83 CDK1 (0.69) CDK1CCNB1CCNA2CDK2CCNA1
Methylguanine SCHEMBL29903462 0.83 CDK1 (0.69) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6901880 0.81 CDK1 (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8619367 0.81 CDK1 (0.66) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL30176198 0.80 CDK1 (0.77) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL18702352 0.80 CDK1 (0.42) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8618498 0.80 CDK1 (0.77) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL9682498 0.79 CDK1 (1.00) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6925968 0.78 CDK1 (0.74) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8971208 0.78 CDK1 (1.00) CDK1CCNB1CCNA2CDK2CCNA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819718-A1 DIFLUORONUCLEOSIDES AND PROCESS FOR PREPARATION THEREOF Sicor Inc. (US) 2007-08-22 EP claimed
US-20060173174-A1 Difluoronucleosides and process for preparation thereof SICOR, INC. 2006-08-03 US claimed
WO-2006063105-A1 DIFLUORONUCLEOSIDES AND PROCESS FOR PREPARATION THEREOF SICOR INC. (US) 2006-06-15 WO claimed
EP-1819718-A1 DIFLUORONUCLEOSIDES AND PROCESS FOR PREPARATION THEREOF Sicor Inc. (US) 2007-08-22 EP disclosed
US-20060173174-A1 Difluoronucleosides and process for preparation thereof SICOR, INC. 2006-08-03 US disclosed
WO-2006063105-A1 DIFLUORONUCLEOSIDES AND PROCESS FOR PREPARATION THEREOF SICOR INC. (US) 2006-06-15 WO 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-20060173174-A1 Difluoronucleosides and process for preparation thereof DUT, NUDT1, DPYD CDK1 3068/4885CCNB1 2463/4885CCNA2 1443/4885

“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.