SCHEMBL7081258

SCHEMBL7081258

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.53
SYK P43405 2/20 0.52
ROCK1 Q13464 9/20 0.51
CLK2 P49760 1/20 0.47
BLK P51451 1/20 0.47
CSNK2A1 P68400 1/20 0.47
STK3 Q13188 1/20 0.47
DYRK1A Q13627 1/20 0.47
AURKB Q96GD4 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
STK17A Q9UEE5 1/20 0.47

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
SCHEMBL7077410 0.91 SYK (0.52) ROCK2SYKROCK1CLK2DYRK1A
SCHEMBL7078494 0.85 ROCK2 (0.53) ROCK2SYKROCK1CLK2BLK
SCHEMBL7077582 0.85 SYK (0.47) ROCK2SYKROCK1CLK2BLK
SCHEMBL7079063 0.81 ROCK2 (0.55) ROCK2ROCK1
SCHEMBL7081266 0.80 RPS6KB1 (0.51) ROCK2SYKROCK1
SCHEMBL7081263 0.80 RPS6KB1 (0.51) ROCK2SYKROCK1
SCHEMBL7077421 0.79 ROCK2 (0.55) ROCK2SYKROCK1
SCHEMBL7081452 0.79 SYK (0.50) SYKCLK2STK3DYRK1ACLK4
SCHEMBL7081412 0.78 ALDH1A1 (0.48) ROCK2ROCK1CLK2CSNK2A1DYRK1A
SCHEMBL7077576 0.76 ROCK1 (0.55) ROCK2SYKROCK1CLK2BLK

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 4018/4885SYK 4369/4885ROCK1 3803/4885

“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.