SCHEMBL4053471

SCHEMBL4053471

CC(C)CCn1nc(-c2cccs2)c(O)c(C#N)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.41
GRM2 Q14416 5/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
PRNP P04156 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
RXFP1 Q9HBX9 3/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ERCC1 P07992 2/20 0.37
FEN1 P39748 2/20 0.37
ERCC4 Q92889 2/20 0.37

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
SCHEMBL4143728 0.85 ADORA1 (0.41) ADORA1MEN1KMT2APRNPNPSR1
SCHEMBL14007540 0.82 ADORA1 (0.42) ADORA1MEN1KMT2ANPSR1KDM4E
SCHEMBL14034566 0.82 ADORA1 (0.45) ADORA1MEN1KMT2ANPSR1KDM4E
SCHEMBL13905626 0.82 ADORA1 (0.38) ADORA1GRM2MEN1KMT2APRNP
SCHEMBL5085621 0.81 FEN1 (0.44) ADORA1MEN1KMT2ANPSR1KDM4E
SCHEMBL4126223 0.80 GRM2 (0.40) ADORA1GRM2ADORA2A
SCHEMBL4125999 0.78 USP2 (0.45) ADORA1MEN1KMT2APRNPNPSR1
SCHEMBL335086 0.77 ALDH1A1 (0.46) ADORA1MEN1KMT2ANPSR1KDM4E
SCHEMBL4143858 0.76 ADORA2A (0.40) ADORA1MEN1KMT2APRNPNPSR1
SCHEMBL4131828 0.76 ADORA2A (0.41) ADORA1MEN1KMT2APRNPNPSR1

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
WO-2009032179-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
US-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 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-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI POLR2E, POLR2H, POLI ADORA1 3760/4885GRM2 4271/4885MEN1 4809/4885

“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.