SCHEMBL1628215

SCHEMBL1628215

CN(C(=O)CNC(=O)c1cc(C(=N)N)ccc1N)C1CCC(CN)(c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
KCNA3 P22001 6/20 0.37
DPP4 P27487 2/20 0.36
SMYD3 Q9H7B4 1/20 0.35
HSD11B1 P28845 4/20 0.35
PYGL P06737 3/20 0.34
CCR2 P41597 2/20 0.33
HPGD P15428 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
SCHEMBL6825848 0.93 KDM4E (0.35) F10PRSS1KCNA3DPP4SMYD3
SCHEMBL1621771 0.91 KCNA3 (0.40) F10PRSS1KCNA3DPP4SMYD3
SCHEMBL1623568 0.87 F10 (0.50) F10PRSS1KCNA3DPP4CCR2
SCHEMBL1624371 0.77 CFD (0.43) KCNA3DPP4SMYD3CCR2
SCHEMBL6972791 0.77 F10 (0.38) F10DPP4SMYD3PYGLHPGD
SCHEMBL5622900 0.73 PLAU (0.39) F10PRSS1DPP4HSD11B1
SCHEMBL3133676 0.71 PYGL (0.47) PYGLCCR2HPGD
Hydrochloric Acid SCHEMBL14483114 0.68 DPP4 (0.43) DPP4PYGL
SCHEMBL1624221 0.66 F10 (0.48) F10PRSS1CCR2
SCHEMBL1624288 0.66 CCR2 (0.43) F10PRSS1CCR2

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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 378/4885PRSS1 3/4885KCNA3 3419/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN F10 292/4885PRSS1 4/4885KCNA3 3220/4885

“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.