SCHEMBL3276867

SCHEMBL3276867

CC(N)c1ccc(-c2cccc(Oc3ccnc(C#N)n3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
KMO O15229 1/20 0.36
MAP4K4 O95819 2/20 0.34
NAAA Q02083 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP17A1 P05093 2/20 0.32
F10 P00742 2/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL3277202 0.83 LOXL2 (0.43) P2RX3
SCHEMBL3276870 0.80 MAOB (0.50) MAP4K4P2RX3
SCHEMBL3277572 0.78 F10 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3278992 0.72 HDAC1 (0.44)
SCHEMBL3278982 0.70 CTSS (0.40)
SCHEMBL8720576 0.70 MAPT (0.48) LRRK2
SCHEMBL30913872 0.69 MAOB (0.55) MAP4K4NAAACYP17A1CYP3A4FFAR1
SCHEMBL3278218 0.69 LOXL2 (0.43) F2
SCHEMBL5622413 0.68 KMO (0.42) KMOMAP4K4ALOX5APFEN1F10
SCHEMBL5318385 0.67 ALDH1A1 (0.46) CYP3A4

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 6 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 claimed
US-20080214548-A1 2-Cyano-Pyrimidines and-Triazines as Cysteine Protease Inhibitors FLOHR STEFANIE 2008-09-04 US claimed
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 IRAK4 3552/4885KMO 1045/4885MAP4K4 4368/4885

“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.