SCHEMBL851834

SCHEMBL851834

N=C(N)c1ccc(Oc2cc(N)cc(Oc3ccc(C(=N)N)cc3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 12/20 1.00
F2 P00734 12/20 1.00
PRSS1 P07477 10/20 1.00
PRSS3 P35030 9/20 1.00
PRSS2 P07478 8/20 1.00
PLAU P00749 2/20 0.73
F10 P00742 4/20 0.70
FURIN P09958 1/20 0.70
MASP2 O00187 1/20 0.54
THPO P40225 1/20 0.54
APEX1 P27695 1/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
NLRP3 Q96P20 1/20 0.52
PLG P00747 2/20 0.51

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
SCHEMBL17084494 0.85 ST14 (1.00) ST14F2PRSS1PRSS3PRSS2
SCHEMBL483100 0.85 ST14 (1.00) ST14F2PRSS1PRSS3PRSS2
SCHEMBL6579180 0.82 F2 (1.00) ST14F2PRSS1PRSS3PRSS2
SCHEMBL3791103 0.81 ST14 (1.00) ST14F2PRSS1PRSS3PRSS2
SCHEMBL3786207 0.80 ST14 (0.67) ST14F2PRSS1PRSS3PRSS2
SCHEMBL19286912 0.78 ST14 (0.83) ST14F2PRSS1PRSS3PRSS2
SCHEMBL3085721 0.78 F2 (0.83) ST14F2PRSS1PRSS3PRSS2
SCHEMBL10034912 0.77 PARP10 (0.63) ST14F2PRSS1PRSS3PRSS2
SCHEMBL23759 0.77 MEN1 (0.79) ST14F2PRSS1PRSS3PRSS2
SCHEMBL6138474 0.76 MEN1 (0.64) ST14F2PRSS1PRSS3PRSS2

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 ST14 216/4885F2 112/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885F2 112/4885PRSS1 3/4885

“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.