SCHEMBL851384

SCHEMBL851384

N#Cc1ccc(Oc2ccc(N)c(Oc3ccc(C#N)cc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.57
F2 P00734 1/20 0.57
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
ST14 Q9Y5Y6 1/20 0.57
MAP4K4 O95819 2/20 0.55
SCN9A Q15858 2/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CYP19A1 P11511 1/20 0.41
LMNA P02545 5/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38

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
SCHEMBL6576370 0.82 F10 (0.61) F10F2PRSS1PRSS2PRSS3
SCHEMBL8509596 0.76 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL6581966 0.75 MAP4K4 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL5343110 0.75 MAP4K4 (0.56) F10F2PRSS1PRSS2PRSS3
SCHEMBL852145 0.75 MERTK (0.50) MAP4K4PARP15PARP10PARP2KDM4E
SCHEMBL6507078 0.72 KDM4E (0.63) MAP4K4SCN9AKCNH2SCN5APARP15
SCHEMBL30526748 0.72 MAP4K4 (0.55) MAP4K4SCN9AKCNH2SCN5APARP15
SCHEMBL852030 0.71 F10 (0.48) F10MAP4K4SCN9APARP15PARP10
SCHEMBL18742226 0.71 MAP4K4 (0.55) MAP4K4SCN9AKCNH2SCN5APARP15
SCHEMBL17896423 0.71 MAP4K4 (1.00) MAP4K4

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 4 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

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 152/4885F2 112/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F10 152/4885F2 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.