SCHEMBL7077421

SCHEMBL7077421

Cc1ccc(C(=O)NN2CCOCC2)c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.55
ROCK1 Q13464 4/20 0.55
ADORA2A P29274 1/20 0.47
PIK3CA P42336 5/20 0.44
EGFR P00533 1/20 0.44
LRRK2 Q5S007 1/20 0.44
SYK P43405 1/20 0.43
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL7079355 0.93 PDGFRB (0.51) ROCK2ROCK1ADORA2ASYKPDGFRB
SCHEMBL6769054 0.85 ROCK1 (0.54) ROCK2ROCK1PIK3CAEGFRLRRK2
SCHEMBL7077567 0.82 PDGFRB (0.52) ADORA2AEGFRSYKPDGFRBPDGFRA
SCHEMBL7078494 0.79 ROCK2 (0.53) ROCK2ROCK1EGFRSYK
SCHEMBL7081258 0.79 ROCK2 (0.53) ROCK2ROCK1SYK
SCHEMBL7078745 0.79 PDGFRB (0.52) ROCK2SYKPDGFRBPDGFRA
SCHEMBL7077905 0.78 PDGFRB (0.67) LRRK2PDGFRBPDGFRA
SCHEMBL7081263 0.76 RPS6KB1 (0.51) ROCK2ROCK1SYK
SCHEMBL7081266 0.76 RPS6KB1 (0.51) ROCK2ROCK1SYK
SCHEMBL6769723 0.75 EGFR (0.50) ROCK2ROCK1EGFRLRRK2SYK

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-6608058-B2 Therapeutic composition for hepatitis B, hepatitis C, or acquired immune deficiency syndrome DONG WHA PHARM. IND. CO., LTD. (KR) 2003-08-19 US claimed
US-20030092709-A1 6-Methylnicotinamide derivatives as antiviral agents DONG WHA PHARM. CO., LTD. (KR) 2003-05-15 US claimed
US-6608058-B2 Therapeutic composition for hepatitis B, hepatitis C, or acquired immune deficiency syndrome DONG WHA PHARM. IND. CO., LTD. (KR) 2003-08-19 US disclosed
US-20030092709-A1 6-Methylnicotinamide derivatives as antiviral agents DONG WHA PHARM. CO., LTD. (KR) 2003-05-15 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-20030092709-A1 6-Methylnicotinamide derivatives as antiviral agents TPMT, HAVCR2, NNMT ROCK2 4018/4885ROCK1 3803/4885ADORA2A 656/4885

“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.