SCHEMBL6979107

SCHEMBL6979107

NC(=O)N1CCN(c2ccncc2)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.56
C1S P09871 1/20 0.40
F2 P00734 4/20 0.39
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
PRSS1 P07477 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK14 Q16539 1/20 0.34
ACHE P22303 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL6984824 0.96 F10 (0.50) F10C1SF2HTR1ADRD4
SCHEMBL6979340 0.93 F10 (0.48) F10C1SF2HTR1ADRD4
SCHEMBL6982988 0.93 F10 (0.47) F10C1SF2HTR1ADRD4
SCHEMBL6969289 0.92 F10 (0.47) F10C1SF2HTR1ADRD4
SCHEMBL6985466 0.92 C1S (0.51) F10C1SF2HTR1ADRD4
SCHEMBL6982312 0.92 F10 (0.47) F10C1SF2HTR1ADRD4
SCHEMBL6980081 0.91 F10 (0.46) F10C1SF2HTR1ADRD4
SCHEMBL6979831 0.90 F10 (0.44) F10C1SF2HTR1ADRD4
SCHEMBL6980328 0.90 F10 (0.45) F10C1SF2ALDH1A1
SCHEMBL6983362 0.90 HTR1A (0.48) F10C1SF2HTR1ALMNA

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 5 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-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 1211/4885C1S 115/4885F2 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.