SCHEMBL6982556

SCHEMBL6982556

Nc1nccc2ccc(C(=O)N[C@@H](CN3CCCCC3=O)c3ccccc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.52
WDR91 A4D1P6 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
MAPK1 P28482 4/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
KCNK3 O14649 4/20 0.38
PPARG P37231 2/20 0.38
CTSA P10619 1/20 0.37
DNMT3B Q9UBC3 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36

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
SCHEMBL6982560 1.00 F10 (0.52) F10WDR91CYP1A2CYP2D6CYP2C9
SCHEMBL7952274 0.81 F10 (0.51) F10ROCK2ROCK1MAPK1PPARG
SCHEMBL6981248 0.77 F10 (0.54) F10ROCK2ROCK1MAPK1F7
SCHEMBL6983225 0.75 F10 (0.49) F10ROCK2ROCK1MAPK1PPARG
SCHEMBL6983223 0.74 F10 (0.49) F10ROCK2ROCK1MAPK1
SCHEMBL7133910 0.74 F10 (0.50) F10ROCK2ROCK1MAPK1PPARG
SCHEMBL6978654 0.74 F10 (0.48) F10ROCK2ROCK1MAPK1
SCHEMBL6978650 0.73 F10 (0.47) F10MAPK1KLKB1
SCHEMBL6978051 0.71 F10 (0.49) F10ROCK2ROCK1MAPK1PPARG
SCHEMBL6978044 0.71 F10 (0.49) F10ROCK2ROCK1MAPK1PPARG

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 1211/4885WDR91 4182/4885CYP1A2 2391/4885

“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.