SCHEMBL2931067

SCHEMBL2931067

CCN(CC)CCN(C(=O)C(F)(F)F)c1ccc(Nc2cncc(-c3cc4ccccc4[nH]3)n2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.39
TTK P33981 4/20 0.35
MAPT P10636 3/20 0.34
MAPK3 P27361 2/20 0.34
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
KDM4E B2RXH2 2/20 0.33
EGFR P00533 1/20 0.33
F3 P13726 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL2960852 0.91 BRAF (0.37) BRAFTTKMAPK3CCNA2CDK2
SCHEMBL2927744 0.90 BRAF (0.39) BRAFTTKMAPTMAPK3CCNA2
Trifluoroacetic Acid SCHEMBL2931064 0.83 TMEM97 (0.41) MAPTHTTALDH1A1DRD2DRD1
SCHEMBL2931747 0.81 TMEM97 (0.45) BRAFTTKMAPTCCNA2CDK2
SCHEMBL2933161 0.81 SYK (0.33) TTKCCNA2CDK2AURKA
SCHEMBL2935070 0.79 BRAF (0.34) BRAFAURKB
SCHEMBL2927146 0.79 BRAF (0.37) BRAFTTKMAPTCCNA2CDK2
SCHEMBL2927174 0.78 BRAF (0.46) BRAF
SCHEMBL2932841 0.76 PIM3 (0.48) BRAFTTKMAPTCCNA2CDK2
Trifluoroacetic Acid SCHEMBL2927742 0.75 IGF1R (0.46) MAPTKDM4EALDH1A1POLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 BRAF 524/4885TTK 266/4885MAPT 1652/4885

“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.