SCHEMBL4131828

SCHEMBL4131828

Cc1cc(Cn2nc(-c3cccs3)c(O)c(C#N)c2=O)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 5/20 0.37
HSD17B10 Q99714 4/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
STAT3 P40763 1/20 0.37
RXFP1 Q9HBX9 4/20 0.37
KMT2A Q03164 4/20 0.37
PRNP P04156 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 3/20 0.37
PKM P14618 2/20 0.37
POLB P06746 2/20 0.37
USP2 O75604 1/20 0.37
BLM P54132 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4143858 0.91 ADORA2A (0.40) ADORA2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4125999 0.86 USP2 (0.45) ADORA2AALDH1A1KDM4EHSD17B10RXFP1
SCHEMBL13905625 0.83 ADORA2A (0.39) ADORA2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL13914368 0.79 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL4053471 0.76 ADORA1 (0.41) ADORA2AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4143728 0.76 ADORA1 (0.41) ADORA2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL13905624 0.73 ADORA2A (0.40) ADORA2AALDH1A1LMNANPSR1ADORA1
SCHEMBL13905626 0.73 ADORA1 (0.38) ADORA2AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4143666 0.71 ADORA2A (0.41) ADORA2AALDH1A1LMNAKMT2ANPSR1
SCHEMBL4129468 0.69 MEN1 (0.39) ADORA2AALDH1A1KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADORA2A 2513/4885ALDH1A1 1965/4885KDM4E 3262/4885

“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.