SCHEMBL6983223

SCHEMBL6983223

Nc1nccc2ccc(C(=O)N[C@@H](CNC(=O)C3CCCCC3)c3ccccc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.49
F11 P03951 1/20 0.40
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 11/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL6981248 0.85 F10 (0.54) F10SMN1; SMN2MAPK1ROCK2ROCK1
SCHEMBL6978654 0.81 F10 (0.48) F10MAPK1ROCK2ROCK1
SCHEMBL8110658 0.81 F11 (0.47) F10F11
SCHEMBL6978650 0.81 F10 (0.47) F10MAPK1
SCHEMBL7133910 0.79 F10 (0.50) F10SMN1; SMN2MAPK1ROCK2ROCK1
SCHEMBL6983225 0.78 F10 (0.49) F10MAPK1ROCK2ROCK1
SCHEMBL6982556 0.74 F10 (0.52) F10MAPK1ROCK2ROCK1
SCHEMBL6982560 0.74 F10 (0.52) F10MAPK1ROCK2ROCK1
SCHEMBL7952274 0.74 F10 (0.51) F10MAPK1ROCK2ROCK1
SCHEMBL6978051 0.72 F10 (0.49) F10MAPK1ROCK2ROCK1LMNA

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 1211/4885F11 414/4885GFER 919/4885

“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.