SCHEMBL6449121

SCHEMBL6449121

Cc1cccc(C(=N)NN)n1.[3H]c1c(C(=N)NN)nc(C([3H])[3H])c([3H])c1[3H]

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
GRM5 P41594 1/20 0.35
HSP90AA1 P07900 1/20 0.32
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL6454723 0.83 P2RX7 (0.62) P2RX7GRM5HSP90AA1NOS3NOS2
SCHEMBL6451427 0.80 P2RX7 (0.30) P2RX7
SCHEMBL2240378 0.69 P2RX7 (0.51) P2RX7GRM5HSP90AA1NOS3NOS2
SCHEMBL18414338 0.68 P2RX7 (0.50) P2RX7GRM5HSP90AA1NOS3NOS2
SCHEMBL1580850 0.68 P2RX7 (0.50) P2RX7GRM5HSP90AA1NOS3NOS2
SCHEMBL6454385 0.67 P2RX7 (0.47) P2RX7GRM5HSP90AA1
SCHEMBL9792890 0.66 P2RX7 (0.39) P2RX7HSP90AA1
SCHEMBL23865131 0.65 NOS3 (0.39) P2RX7NOS3NOS2
SCHEMBL29843729 0.64 P2RX7 (0.53) P2RX7GRM5HSP90AA1NOS3NOS2
SCHEMBL1443336 0.64 P2RX7 (0.53) P2RX7GRM5HSP90AA1NOS3NOS2

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC P2RX7 1072/4885GRM5 4040/4885HSP90AA1 1213/4885

“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.