SCHEMBL6167843

SCHEMBL6167843

N=C(N)c1ccc(Cn2cc(Cc3cccc(C(=N)N)c3)c(C(=O)O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
F10 P00742 13/20 0.45
F2 P00734 6/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
KLKB1 P03952 2/20 0.41
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL7102751 0.95 PRSS1 (0.49) PRSS1PRSS2PRSS3F10F2
Trifluoroacetic Acid SCHEMBL6167246 0.90 F10 (0.44) PRSS1PRSS2PRSS3F10F2
SCHEMBL7106237 0.87 F10 (0.48) PRSS1PRSS2PRSS3F10F2
SCHEMBL7100607 0.87 F10 (0.47) PRSS1PRSS2PRSS3F10F2
SCHEMBL7104392 0.84 F10 (0.47) PRSS1PRSS2PRSS3F10F2
SCHEMBL7107522 0.84 F10 (0.52) PRSS1PRSS2PRSS3F10F2
Trifluoroacetic Acid SCHEMBL6165898 0.83 F2 (0.44) PRSS1F10F2
Trifluoroacetic Acid SCHEMBL6166238 0.83 F10 (0.44) PRSS1PRSS2PRSS3F10F2
SCHEMBL7107197 0.83 F10 (0.49) PRSS1PRSS2PRSS3F10F2
Trifluoroacetic Acid SCHEMBL6164094 0.82 F10 (0.46) PRSS1F10F2

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
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US claimed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI PRSS1 43/4885PRSS2 95/4885PRSS3 56/4885

“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.