SCHEMBL3281920

SCHEMBL3281920

N=C(N)Nc1ccc(-c2cccc(Oc3ccnc(Cl)n3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.40
F2 P00734 3/20 0.40
PLAU P00749 4/20 0.39
PLG P00747 2/20 0.39
PLAT P00750 2/20 0.39
KDR P35968 3/20 0.39
CNR1 P21554 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
PORCN Q9H237 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
LOX P28300 2/20 0.35
LOXL2 Q9Y4K0 2/20 0.35

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
SCHEMBL3277572 0.85 F10 (0.40) F10F2PLAUPLGPLAT
SCHEMBL5319496 0.71 MITF (0.46) KDRLOXLOXL2
SCHEMBL5377932 0.70 MAOB (0.49) F10F2CYP3A4SCN5ASCN9A
SCHEMBL3277080 0.70 RAB9A (0.45) F10F2KDRCYP3A4
SCHEMBL3278773 0.69 HDAC1 (0.47)
SCHEMBL3278076 0.68 F2 (0.55) F10F2
SCHEMBL3279329 0.68 PLAAT3 (0.49)
SCHEMBL17609059 0.68 MAP4K4 (0.50) F10F2
SCHEMBL19089468 0.68 ALDH1A1 (0.51) KDR
SCHEMBL23899138 0.68 MAP2K7 (0.59)

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 F10 2607/4885F2 486/4885PLAU 398/4885

“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.