SCHEMBL6978650

SCHEMBL6978650

CC(=O)N(C[C@H](NC(=O)c1ccc2ccnc(N)c2c1)c1ccccc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.47
PAK4 O96013 1/20 0.40
CDK2 P24941 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 11/20 0.39
KLKB1 P03952 2/20 0.38
MAPK8 P45983 2/20 0.38
MAST3 O60307 1/20 0.38
MAPK9 P45984 1/20 0.38
CASP1 P29466 1/20 0.37

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
SCHEMBL6983223 0.81 F10 (0.49) F10MAPK1
SCHEMBL8111389 0.80 F10 (0.43) F10KLKB1CASP1
SCHEMBL6978654 0.80 F10 (0.48) F10CDK2MAPK1MAPK8MAST3
SCHEMBL6978051 0.78 F10 (0.49) F10PAK4CDK2MAPK1
SCHEMBL6978044 0.78 F10 (0.49) F10PAK4CDK2MAPK1
SCHEMBL6983225 0.78 F10 (0.49) F10PAK4CDK2MAPK1
SCHEMBL6981248 0.76 F10 (0.54) F10PAK4CDK2KMT2AMAPK1
SCHEMBL7133910 0.73 F10 (0.50) F10CDK2KMT2AMAPK1
SCHEMBL6982556 0.73 F10 (0.52) F10MAPK1KLKB1
SCHEMBL6982560 0.73 F10 (0.52) F10MAPK1KLKB1

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 F10 1211/4885PAK4 4684/4885CDK2 1609/4885

“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.