SCHEMBL6980408

SCHEMBL6980408

CC(=O)c1cccc(N(C(=O)CN(C(=O)c2ccc3ccnc(N)c3c2)c2ccccc2)c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
F10 P00742 9/20 0.36
F2 P00734 5/20 0.35
MAPK14 Q16539 1/20 0.35
HTT P42858 1/20 0.34
PRSS1 P07477 2/20 0.33
PLAU P00749 1/20 0.33
ERBB2 P04626 1/20 0.33
PTK6 Q13882 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6983911 0.86 MAPK14 (0.39) ALDH1A1F10F2MAPK14PLAU
SCHEMBL6982561 0.76 NPC1 (0.44) ALDH1A1HTTPLAUERBB2MAPT
SCHEMBL6982268 0.73 HDAC1 (0.45) ALDH1A1HTTMAPTHPGD
SCHEMBL6983681 0.72 F2 (0.42) ALDH1A1F10F2MAPK14PLAU
SCHEMBL6981804 0.71 KMT2A (0.46) ALDH1A1
SCHEMBL6974985 0.71 F2 (0.41) ALDH1A1F10F2MAPK14
SCHEMBL6979702 0.71 F10 (0.42) ALDH1A1F10F2MAPK14MAPT
SCHEMBL6984824 0.70 F10 (0.50) ALDH1A1F10F2HTTMAPT
SCHEMBL6979913 0.70 F2 (0.39) F10F2MAPK14
SCHEMBL6979284 0.70 C1S (0.45) ALDH1A1F10F2MAPT

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 ALDH1A1 1999/4885F10 1211/4885F2 776/4885

“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.