SCHEMBL6984971

SCHEMBL6984971

C[C@H](NC(=O)CN)C(=O)N(c1ccc2ccccc2c1)[C@@](C(=O)O)(C(=O)c1ccc2ccnc(N)c2c1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.34
MAPK14 Q16539 4/20 0.34
ROCK1 Q13464 1/20 0.32
F2 P00734 3/20 0.31
RECQL P46063 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL6973239 0.69 MAPK14 (0.37) F10MAPK14ROCK1F2CNR2
SCHEMBL6972729 0.67 F10 (0.38) F10F2
SCHEMBL8109181 0.61 F10 (0.46) F10F2HDAC3HDAC1HDAC6
SCHEMBL6978044 0.61 F10 (0.49) F10ROCK1
SCHEMBL6978051 0.61 F10 (0.49) F10ROCK1
SCHEMBL6978513 0.60 PLAU (0.63) F10ROCK1
SCHEMBL8118513 0.60 F10 (0.52) F10ROCK1
Trifluoroacetic Acid SCHEMBL6978086 0.59 PLAU (0.55) F10CNR2
SCHEMBL6982561 0.59 NPC1 (0.44)
SCHEMBL8118772 0.58 F10 (0.41) F10MAPK14

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 1211/4885MAPK14 4069/4885ROCK1 2995/4885

“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.