SCHEMBL6975794

SCHEMBL6975794

Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc3ccnc(N)c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 14/20 0.53
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PRSS1 P07477 1/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
KLK1 P06870 2/20 0.46
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL8109181 0.79 F10 (0.46) KLKB1F2F10PRSS1F7
SCHEMBL8118513 0.78 F10 (0.52) KLKB1F10F7F3KLK1
SCHEMBL14485367 0.75 KLKB1 (0.72) KLKB1KLK1
SCHEMBL6982268 0.74 HDAC1 (0.45) KLKB1KLK1
SCHEMBL6978051 0.74 F10 (0.49) F10
SCHEMBL6978044 0.74 F10 (0.49) F10
SCHEMBL8139420 0.73 F10 (0.46) KLKB1F2F10PRSS1KLK1
SCHEMBL21669910 0.72 KLKB1 (0.88) KLKB1KLK1
SCHEMBL14486005 0.72 KLKB1 (0.88) KLKB1KLK1
SCHEMBL6981248 0.71 F10 (0.54) F10F7F3

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 KLKB1 798/4885F2 776/4885F10 1211/4885

“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.