SCHEMBL6972791

SCHEMBL6972791

CN(C(=O)CNC(=O)c1ccc2ccnc(N)c2c1)C1CCC(CN)(c2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.38
PRMT3 O60678 1/20 0.37
SMYD3 Q9H7B4 1/20 0.35
KLKB1 P03952 7/20 0.35
PYGL P06737 4/20 0.35
BACE1 P56817 1/20 0.35
DPP4 P27487 1/20 0.34
KMT2A Q03164 1/20 0.34
KLK1 P06870 2/20 0.34
HPGD P15428 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
SCHEMBL1623568 0.80 F10 (0.50) F10DPP4
SCHEMBL1624371 0.79 CFD (0.43) SMYD3DPP4
SCHEMBL1628215 0.77 F10 (0.37) F10SMYD3PYGLDPP4HPGD
SCHEMBL1621771 0.75 KCNA3 (0.40) F10SMYD3PYGLDPP4KLK1
SCHEMBL6825848 0.71 KDM4E (0.35) F10SMYD3DPP4
Hydrochloric Acid SCHEMBL14483114 0.70 DPP4 (0.43) PYGLDPP4
SCHEMBL6978650 0.66 F10 (0.47) F10KLKB1KMT2A
SCHEMBL6981248 0.63 F10 (0.54) F10KMT2A
SCHEMBL5622900 0.63 PLAU (0.39) F10DPP4
SCHEMBL6978513 0.62 PLAU (0.63) F10BACE1

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 1211/4885PRMT3 1254/4885SMYD3 3979/4885

“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.