SCHEMBL3791103

SCHEMBL3791103

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 13/20 1.00
F2 P00734 11/20 1.00
PRSS1 P07477 8/20 1.00
PRSS2 P07478 8/20 1.00
PRSS3 P35030 8/20 1.00
PLAU P00749 1/20 0.68
F10 P00742 1/20 0.66
FURIN P09958 1/20 0.66
PARP10 Q53GL7 5/20 0.62
PARP15 Q460N3 3/20 0.62
PARP14 Q460N5 2/20 0.62
ALDH1A1 P00352 1/20 0.62
KMT2A Q03164 1/20 0.62
PARP16 Q8N5Y8 1/20 0.62
PARP11 Q9NR21 1/20 0.62
PARP4 Q9UKK3 1/20 0.62
PLG P00747 3/20 0.59
TNKS O95271 1/20 0.57
TNKS2 Q9H2K2 1/20 0.57
PARP2 Q9UGN5 1/20 0.57

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
SCHEMBL3789265 0.89 ST14 (0.83) ST14F2PRSS1PRSS2PRSS3
SCHEMBL3793330 0.83 ST14 (0.71) ST14F2PRSS1PRSS2PRSS3
SCHEMBL483100 0.82 ST14 (1.00) ST14F2PRSS1PRSS2PRSS3
SCHEMBL17084494 0.82 ST14 (1.00) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851834 0.81 ST14 (1.00) ST14F2PRSS1PRSS2PRSS3
SCHEMBL3803040 0.80 ST14 (0.64) ST14F2PRSS1PRSS2PRSS3
SCHEMBL6579180 0.79 F2 (1.00) ST14F2PRSS1PRSS2PRSS3
SCHEMBL1718819 0.79 PARP10 (0.71) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8514698 0.79 ST14 (0.64) ST14F2PRSS1PRSS2PRSS3
SCHEMBL3137816 0.78 PARP10 (1.00) ST14F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US 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 (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-20140200225-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.