SCHEMBL6983225

SCHEMBL6983225

NC(=O)C1(C[C@@H](NC(=O)c2ccc3ccnc(N)c3c2)c2ccccc2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.49
PPARG P37231 3/20 0.40
MAPK1 P28482 8/20 0.39
ROCK2 O75116 5/20 0.37
RPS6KA5 O75582 3/20 0.37
AKT1 P31749 3/20 0.37
GSK3B P49841 3/20 0.37
NEK4 P51957 3/20 0.37
PRKCD Q05655 3/20 0.37
PRKG2 Q13237 3/20 0.37
ROCK1 Q13464 3/20 0.37
PRKG1 Q13976 3/20 0.37
PKN2 Q16513 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
CDK2 P24941 3/20 0.37
MAPK13 O15264 2/20 0.37
MAP4K4 O95819 2/20 0.37
PRKCG P05129 2/20 0.37
CDK1 P06493 2/20 0.37
RPS6KB1 P23443 2/20 0.37

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
SCHEMBL6978654 0.79 F10 (0.48) F10MAPK1ROCK2AKT1ROCK1
SCHEMBL6978650 0.78 F10 (0.47) F10MAPK1CDK2PAK4
SCHEMBL6981248 0.78 F10 (0.54) F10PPARGMAPK1ROCK2RPS6KA5
SCHEMBL6983223 0.78 F10 (0.49) F10MAPK1ROCK2ROCK1
SCHEMBL7133910 0.76 F10 (0.50) F10PPARGMAPK1ROCK2RPS6KA5
SCHEMBL6982560 0.75 F10 (0.52) F10PPARGMAPK1ROCK2ROCK1
SCHEMBL6982556 0.75 F10 (0.52) F10PPARGMAPK1ROCK2ROCK1
SCHEMBL7952274 0.75 F10 (0.51) F10PPARGMAPK1ROCK2RPS6KA5
SCHEMBL6978051 0.74 F10 (0.49) F10PPARGMAPK1ROCK2RPS6KA5
SCHEMBL6978044 0.74 F10 (0.49) F10PPARGMAPK1ROCK2RPS6KA5

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 6 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
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 EP disclosed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 WO 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 1211/4885PPARG 4764/4885MAPK1 2278/4885

“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.