SCHEMBL6973239

SCHEMBL6973239

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TP53 P04637 1/20 0.34
PIN1 Q13526 1/20 0.34
F10 P00742 4/20 0.34
PLAU P00749 1/20 0.33
F2 P00734 2/20 0.33
CNR2 P34972 1/20 0.33
ROCK1 Q13464 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 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
SCHEMBL1623823 0.81 PLAU (0.45) ALDH1A1LMNATSHRHTTNPSR1
SCHEMBL1624029 0.74 F10 (0.39) F10PLAUF2PRSS1
SCHEMBL6983911 0.71 MAPK14 (0.39) MAPK14ALDH1A1F10PLAUF2
SCHEMBL1624511 0.70 PLAU (0.40) F10PLAUF2PRSS1
SCHEMBL6980408 0.70 ALDH1A1 (0.37) MAPK14ALDH1A1HTTF10PLAU
SCHEMBL6984971 0.69 F10 (0.34) MAPK14F10F2CNR2ROCK1
SCHEMBL6982561 0.64 NPC1 (0.44) ALDH1A1LMNATSHRHTTPLAU
SCHEMBL6978513 0.63 PLAU (0.63) ALDH1A1F10PLAUROCK1
SCHEMBL8118772 0.63 F10 (0.41) MAPK14F10PLAU
SCHEMBL10588465 0.63 ESR1 (0.49) MAPK14ALDH1A1ESR1ESR2TP53

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 MAPK14 4069/4885ALDH1A1 1999/4885LMNA 460/4885

“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.