SCHEMBL6977852

SCHEMBL6977852

Nc1nccc2ccc(C=O)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F12 P00748 2/20 0.48
▸ PLAU P00749 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
▸ ROCK1 Q13464 6/20 0.41
▸ CYP2A6 P11509 3/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ PLG P00747 2/20 0.35
▸ F11 P03951 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL6992568 0.80 MAPT (0.44) CYP2A6MAPTKIF11ALDH1A1KDM4E
SCHEMBL29508479 0.75 F12 (0.57) F12PLAUNCF1NOS3NOS1
SCHEMBL5989271 0.75 F12 (0.57) F12PLAUNCF1NOS3NOS1
SCHEMBL11761067 0.73 KDM4E (0.46) PLAUCYP2A6MAPTKIF11PLG
SCHEMBL29439792 0.72 PLAU (0.56) F12PLAUNCF1NOS3NOS1
SCHEMBL29987789 0.72 MAP4K4 (0.54) F12PLAUNCF1NOS3NOS1
SCHEMBL17963914 0.72 MAP4K4 (0.54) F12PLAUNCF1NOS3NOS1
SCHEMBL31868436 0.72 NOS3 (0.53) F12PLAUNCF1NOS3NOS1
SCHEMBL3747200 0.72 NOS3 (0.53) F12PLAUNCF1NOS3NOS1
SCHEMBL1839938 0.72 PLAU (0.56) F12PLAUNCF1NOS3NOS1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 — — US claimed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 — — US claimed
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 — — EP claimed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 — — WO claimed
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 F12 362/4885PLAU 321/4885NCF1 962/4885

“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.

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