SCHEMBL3278076

SCHEMBL3278076

N=C(N)c1ccc(COc2cccc(Oc3ccnc(Cl)n3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.55
F10 P00742 2/20 0.51
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
TMPRSS6 Q8IU80 1/20 0.50
ST14 Q9Y5Y6 1/20 0.50

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
SCHEMBL4597808 0.92 F2 (0.50) F2F10PRSS1PRSS2PRSS3
SCHEMBL3278168 0.90 F2 (0.60) F2F10
SCHEMBL3279407 0.85 F2 (0.54) F2F10PRSS1PRSS2PRSS3
SCHEMBL3277603 0.79 SMPD1 (0.48)
SCHEMBL3281929 0.75 F2 (0.58) F2F10
SCHEMBL3284334 0.74 MAOB (0.48)
SCHEMBL3276910 0.73 HDAC1 (0.46)
SCHEMBL3277080 0.73 RAB9A (0.45) F2F10
SCHEMBL7448763 0.72 F2 (0.85) F2F10PRSS1PRSS2PRSS3
SCHEMBL4374899 0.71 PLAAT3 (0.52) F2

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-7700605-B2 2-cyano-pyrimidines and-triazines as cysteine protease inhibitors NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080214548-A1 2-Cyano-Pyrimidines and-Triazines as Cysteine Protease Inhibitors FLOHR STEFANIE 2008-09-04 US disclosed
EP-1907368-A1 2-CYANO-PYRIMIDINES AND -TRIAZINES AS CYSTEINE PROTEASE INHIBITORS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007009715-A1 2-CYANO-PYRIMIDINES AND -TRIAZINES AS CYSTEINE PROTEASE INHIBITORS NOVARTIS AG (CH) 2007-01-25 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-20080214548-A1 2-Cyano-Pyrimidines and-Triazines as Cysteine Protease Inhibitors USP2, UCHL3, UCHL5 F2 486/4885F10 2607/4885PRSS1 206/4885

“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.