SCHEMBL1625359

SCHEMBL1625359

N=C(N)c1cccc(C(=O)N(CC(=O)OCCC2CCN(C(=N)N)CC2)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.59
F2 P00734 6/20 0.59
ACHE P22303 4/20 0.43
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
PRSS1 P07477 3/20 0.41
TPSAB1 Q15661 1/20 0.40
ST14 Q9Y5Y6 2/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
CHRM4 P08173 1/20 0.38
PRSS2 P07478 1/20 0.37
PRSS3 P35030 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
SCHEMBL1624726 0.91 F10 (0.50) F10F2ACHEITGB3ITGA2B
SCHEMBL1625358 0.87 F2 (0.44) F10F2ACHEITGB3ITGA2B
SCHEMBL1624420 0.84 F2 (0.43) F10F2ACHEITGB3ITGA2B
SCHEMBL1623600 0.77 F10 (0.44) F10F2ACHEITGB3ITGA2B
SCHEMBL1623889 0.77 F2 (0.41) F10F2ACHEITGB3ITGA2B
SCHEMBL1622252 0.76 MEN1 (0.46) F10F2ITGB3ITGA2BPRSS1
SCHEMBL1624703 0.76 F2 (0.55) F10F2ACHEPRSS1ST14
SCHEMBL1622121 0.76 F2 (0.43) F10F2ACHEITGB3ITGA2B
SCHEMBL1625439 0.74 F2 (0.52) F10F2PRSS1TPSAB1
SCHEMBL1625707 0.73 F2 (0.53) F10F2PRSS1PLGPLAU

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 US disclosed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 US disclosed
EP-1009758-B1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2005-06-01 EP disclosed
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-6740682-B2 TREATMENT OF THROMBOTIC DISEASES, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY. TULARIK LIMITED (GB) 2004-05-25 US disclosed
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-05-09 US disclosed
EP-1009758-A1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-21 EP disclosed
WO-1999011658-A1 META-BENZAMIDINE DERIVATIVES AS SERIN 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 (3 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-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 F10 378/4885F2 113/4885ACHE 731/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN F10 292/4885F2 103/4885ACHE 548/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 F10 378/4885F2 113/4885ACHE 731/4885

“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.