SCHEMBL851429

SCHEMBL851429

N=C(N)c1ccc(Oc2ccc(C(=O)NCCCN)c(Oc3ccc(C(=N)N)cc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 1.00
ST14 Q9Y5Y6 12/20 1.00
F2 P00734 10/20 1.00
PRSS1 P07477 8/20 1.00
PRSS2 P07478 8/20 1.00
PRSS3 P35030 8/20 1.00

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
SCHEMBL851127 0.87 F10 (0.77) F10ST14F2PRSS1PRSS2
SCHEMBL851171 0.87 F10 (0.76) F10ST14F2PRSS1PRSS2
SCHEMBL851827 0.80 ST14 (0.75) F10ST14F2PRSS1PRSS2
SCHEMBL851516 0.77 ST14 (1.00) F10ST14F2PRSS1PRSS2
SCHEMBL850854 0.76 ST14 (1.00) F10ST14F2PRSS1PRSS2
SCHEMBL851382 0.73 F10 (0.73) F10ST14F2PRSS1PRSS2
SCHEMBL850827 0.73 F10 (0.57) F10ST14F2PRSS1PRSS2
SCHEMBL851803 0.72 F10 (1.00) F10ST14F2PRSS1PRSS2
SCHEMBL6578480 0.69 F10 (1.00) F10F2
SCHEMBL851119 0.68 ST14 (0.91) F10ST14F2PRSS1PRSS2

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-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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 (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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F10 152/4885ST14 216/4885F2 112/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F10 152/4885ST14 216/4885F2 112/4885

“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.