SCHEMBL3611934

SCHEMBL3611934

CCOC(=O)c1cc2c(Nc3ccc(N)cc3)ccnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
BRAF P15056 2/20 0.42
MMP13 P45452 2/20 0.42
MMP2 P08253 1/20 0.42
FBP1 P09467 1/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 1/20 0.41
NUDT1 P36639 1/20 0.41
CDC25B P30305 3/20 0.41
DNMT1 P26358 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 2/20 0.40

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
SCHEMBL13548326 0.87 BRAF (0.41) BRAFMMP13MMP2FBP1KMT2A
SCHEMBL3616651 0.85 MAPT (0.49) BRAFFBP1KMT2ARAB9AMEN1
SCHEMBL29865459 0.82 PTK6 (0.52) FBP1
SCHEMBL3607762 0.81 BRAF (0.44) AURKAAURKBBRAFMMP13MMP2
SCHEMBL28463901 0.81 FBP1 (0.64) AURKABRAFFBP1RAB9ACDC25B
SCHEMBL13548244 0.80 NUDT1 (0.41) BRAFMMP13MMP2KMT2ARAB9A
SCHEMBL3608888 0.80 BRD4 (0.47) AURKABRAFMMP13MMP2KMT2A
SCHEMBL3610625 0.80 MET (0.47) AURKAAURKBMAOA
SCHEMBL17126117 0.76 NUDT1 (0.48) BRAFMMP13MMP2KMT2ARAB9A
SCHEMBL30731078 0.76 NUDT1 (0.48) BRAFMMP13MMP2KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016307-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016307-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
WO-2008049855-A2 7-AZAINDOLE DERIVATIVES AS C-MET KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-02 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-20100016307-A1 NOVEL COMPOUNDS MET, HGF, HGFAC AURKA 3669/4885AURKB 1924/4885BRAF 166/4885

“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.