SCHEMBL9548595

SCHEMBL9548595

Nc1ncnc2c1ncn2[C@H]1CCC(CO)(CO)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.56
PI4K2A Q9BTU6 6/20 0.56
PI4KA P42356 5/20 0.55
PI4K2B Q8TCG2 5/20 0.55
PI4KB Q9UBF8 5/20 0.55
TP53 P04637 1/20 0.55
CYP2C9 P11712 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
APEX1 P27695 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
ADCY1 Q08828 1/20 0.55
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
ADORA2A P29274 7/20 0.53
SLC28A1 O00337 1/20 0.53

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
SCHEMBL22990449 0.87 P2RY1 (0.54) ADAPI4K2AADORA1
SCHEMBL20324651 0.87 TAS1R3 (0.47) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL21637073 0.87 PI4K2A (0.46) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL24695057 0.86 ADA (0.54) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL10083618 0.85 PI4K2A (0.40) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL9548820 0.84 AHCY (0.49) ADAPI4K2ATP53PRMT5WDR77
SCHEMBL12060727 0.83 ADA (0.51) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL9153371 0.83 ADA (0.51) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL9153368 0.83 ADA (0.51) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL9548808 0.83 ADA (0.51) ADAPI4K2API4KAPI4K2BPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120034184-A1 4'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF HCV RNA REPLICATION DEVOS RENE ROBERT (GB) 2012-02-09 US disclosed
US-8071567-B2 4′-substituted nucleoside derivatives as inhibitors of HCV RNA replication ROCHE PALO ALTO LLC (US) 2011-12-06 US disclosed
US-20100003213-A1 4'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF HCV RNA REPLICATION DEVOS RENE ROBERT 2010-01-07 US disclosed
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 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 (2 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-20100003213-A1 4'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF HCV RNA REPLICATION NSUN2, RNGTT, RNMT ADA 198/4885PI4K2A 2183/4885PI4KA 1316/4885
US-20120034184-A1 4'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF HCV RNA REPLICATION NSUN2, RNGTT, RNMT ADA 123/4885PI4K2A 2564/4885PI4KA 2246/4885

“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.