SCHEMBL7077582

SCHEMBL7077582

Cc1ccc(C(=O)NC(C)c2ccccn2)c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.47
ROCK2 O75116 8/20 0.45
MAPK1 P28482 2/20 0.44
HTR2B P41595 1/20 0.44
ROCK1 Q13464 3/20 0.43
TGFBR1 P36897 1/20 0.42
JAK2 O60674 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDR P35968 2/20 0.42
CLK2 P49760 2/20 0.42
BLK P51451 2/20 0.42
CSNK2A1 P68400 2/20 0.42
STK3 Q13188 2/20 0.42
DYRK1A Q13627 2/20 0.42
AURKB Q96GD4 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
STK17A Q9UEE5 2/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 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
SCHEMBL7081258 0.85 ROCK2 (0.53) SYKROCK2ROCK1CLK2BLK
SCHEMBL7077576 0.80 ROCK1 (0.55) SYKROCK2MAPK1ROCK1TGFBR1
SCHEMBL7078494 0.77 ROCK2 (0.53) SYKROCK2MAPK1ROCK1TGFBR1
SCHEMBL7077410 0.77 SYK (0.52) SYKROCK2MAPK1ROCK1NPC1
SCHEMBL7079063 0.77 ROCK2 (0.55) ROCK2ROCK1JAK2NPC1RAB9A
SCHEMBL7081412 0.74 ALDH1A1 (0.48) ROCK2MAPK1ROCK1TGFBR1JAK2
SCHEMBL7081263 0.72 RPS6KB1 (0.51) SYKROCK2ROCK1RPS6KB1
SCHEMBL7081266 0.72 RPS6KB1 (0.51) SYKROCK2ROCK1RPS6KB1
SCHEMBL7077421 0.72 ROCK2 (0.55) SYKROCK2ROCK1EGFR
SCHEMBL7081452 0.71 SYK (0.50) SYKMAPK1NPC1RAB9AKDR

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 SYK 4369/4885ROCK2 4018/4885MAPK1 332/4885

“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.