SCHEMBL6981248

SCHEMBL6981248

Nc1nccc2ccc(C(=O)N[C@@H](CNC(=O)c3ccccc3)c3ccccc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.54
MAPK1 P28482 5/20 0.45
GSK3B P49841 4/20 0.44
ROCK1 Q13464 4/20 0.44
CLK4 Q9HAZ1 4/20 0.44
RPS6KA5 O75582 3/20 0.44
AKT1 P31749 3/20 0.44
NEK4 P51957 3/20 0.44
PRKCD Q05655 3/20 0.44
PRKG2 Q13237 3/20 0.44
PRKG1 Q13976 3/20 0.44
PKN2 Q16513 3/20 0.44
ROCK2 O75116 3/20 0.44
GSK3A P49840 3/20 0.44
MAPK13 O15264 2/20 0.44
MAP4K4 O95819 2/20 0.44
PRKCG P05129 2/20 0.44
CDK1 P06493 2/20 0.44
RPS6KB1 P23443 2/20 0.44
CDK2 P24941 2/20 0.44

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
SCHEMBL7133910 0.85 F10 (0.50) F10MAPK1GSK3BROCK1CLK4
SCHEMBL6983223 0.85 F10 (0.49) F10MAPK1ROCK1ROCK2SMN1; SMN2
SCHEMBL7952274 0.80 F10 (0.51) F10MAPK1GSK3BROCK1CLK4
SCHEMBL8118513 0.80 F10 (0.52) F10MAPK1GSK3BROCK1CLK4
SCHEMBL6983225 0.78 F10 (0.49) F10MAPK1GSK3BROCK1CLK4
SCHEMBL6978044 0.78 F10 (0.49) F10MAPK1GSK3BROCK1CLK4
SCHEMBL6978051 0.78 F10 (0.49) F10MAPK1GSK3BROCK1CLK4
SCHEMBL5010038 0.78 ALDH1A1 (0.53) PPARGNPC1RAB9ASMN1; SMN2
SCHEMBL6982560 0.77 F10 (0.52) F10MAPK1ROCK1ROCK2PPARG
SCHEMBL6978654 0.77 F10 (0.48) F10MAPK1ROCK1AKT1ROCK2

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
EP-1012166-B1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2003-10-29 EP disclosed
US-6420438-B1 FOR THERAPY OF THROMBOTIC DISEASE, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY TULARIK LIMITED (GB) 2002-07-16 US disclosed
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 US disclosed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 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-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors CTRL, HPN, CTSL F10 1211/4885MAPK1 2278/4885GSK3B 3312/4885

“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.