SCHEMBL7079063

SCHEMBL7079063

Cc1ccc(C(=O)Nc2cccnc2)c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.55
ROCK1 Q13464 3/20 0.55
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
JAK2 O60674 3/20 0.50
JAK1 P23458 2/20 0.50
MAOB P27338 1/20 0.48
MCL1 Q07820 1/20 0.48
POLB P06746 1/20 0.48
KDR P35968 1/20 0.47
CYP11B2 P19099 1/20 0.47
TMIGD3 P0DMS9 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL7079215 0.92 KDR (0.56) ROCK2ROCK1NPC1RAB9AKDR
SCHEMBL7081412 0.85 ALDH1A1 (0.48) ROCK2ROCK1JAK2KDR
SCHEMBL7078494 0.81 ROCK2 (0.53) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL7081258 0.81 ROCK2 (0.53) ROCK2ROCK1
SCHEMBL7077388 0.77 ALDH1A1 (0.48) KDR
SCHEMBL7077582 0.77 SYK (0.47) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL5412469 0.76 ROCK2 (0.64) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL7077576 0.76 ROCK1 (0.55) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL7081263 0.76 RPS6KB1 (0.51) ROCK2ROCK1POLB
SCHEMBL7081266 0.76 RPS6KB1 (0.51) ROCK2ROCK1POLB

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 3803/4885NPC1 487/4885

“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.