SCHEMBL6979913

SCHEMBL6979913

NC(=O)N1CCC(C(=O)c2ccccc2)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.39
F10 P00742 1/20 0.38
MAPK14 Q16539 1/20 0.37
MGLL Q99685 6/20 0.36
HSD11B1 P28845 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TNKS O95271 3/20 0.36
TNKS2 Q9H2K2 3/20 0.36
HRH3 Q9Y5N1 1/20 0.35
PARP1 P09874 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
SCHEMBL6974985 0.91 F2 (0.41) F2F10MAPK14
SCHEMBL6979249 0.89 F2 (0.41) F2F10MAPK14PARP1
SCHEMBL6983681 0.88 F2 (0.42) F2F10MAPK14
SCHEMBL6979762 0.88 F2 (0.41) F2F10MAPK14MEN1KMT2A
SCHEMBL6978159 0.87 F10 (0.42) F2F10MAPK14
SCHEMBL6982478 0.87 ROCK1 (0.42) F2F10MAPK14
SCHEMBL6983741 0.87 F2 (0.38) F2F10MAPK14MEN1KMT2A
SCHEMBL6984824 0.85 F10 (0.50) F2F10
SCHEMBL6979831 0.85 F10 (0.44) F2F10KMT2A
SCHEMBL6979694 0.84 F10 (0.42) F2F10MEN1KMT2APARP1

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 F2 776/4885F10 1211/4885MAPK14 4069/4885

“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.