SCHEMBL6983215

SCHEMBL6983215

Nc1nccc2ccc(CO)cc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.60
ROCK1 Q13464 11/20 0.53
F12 P00748 2/20 0.48
NCF1 P14598 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
BACE1 P56817 1/20 0.48
RECQL P46063 1/20 0.43
ROCK2 O75116 1/20 0.40
KCNH2 Q12809 1/20 0.40
PLG P00747 1/20 0.38
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MAOA P21397 1/20 0.38
DYRK1A Q13627 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
SCHEMBL28285945 0.86 ROCK1 (0.72) PLAUROCK1F12NCF1NOS3
SCHEMBL6436256 0.84 ROCK1 (0.74) PLAUROCK1F12NCF1NOS3
Hydrochloric Acid SCHEMBL16246756 0.82 ROCK1 (0.72) PLAUROCK1F12NCF1NOS3
SCHEMBL6982094 0.82 ROCK1 (0.53) PLAUROCK1F12NCF1NOS3
SCHEMBL24358795 0.81 ROCK1 (0.51) PLAUROCK1F12NCF1NOS3
SCHEMBL29732356 0.81 ROCK1 (0.51) PLAUROCK1F12NCF1NOS3
SCHEMBL6997520 0.79 PLAU (0.56) PLAUROCK1RECQLMAOADYRK1A
SCHEMBL15732187 0.78 ROCK1 (0.49) PLAUROCK1F12NCF1NOS3
SCHEMBL6435603 0.76 F12 (0.53) PLAUROCK1F12NCF1NOS3
SCHEMBL29508479 0.75 F12 (0.57) PLAUROCK1F12NCF1NOS3

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 PLAU 321/4885ROCK1 2995/4885F12 362/4885

“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.