SCHEMBL2960852

SCHEMBL2960852

CCN(CC)CCN(C(=O)C(F)(F)F)c1ccc(Nc2cncc(-c3cc4cc(F)ccc4[nH]3)n2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.37
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
NSD2 O96028 1/20 0.35
POLB P06746 1/20 0.35
TTK P33981 3/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
FLT3 P36888 1/20 0.33
SYK P43405 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN2B Q13224 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CNR1 P21554 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
SCHEMBL2931067 0.91 BRAF (0.39) BRAFKDM4EHSD17B10POLBTTK
SCHEMBL2933161 0.90 SYK (0.33) TTKSYKCCNA2CDK2CNR1
SCHEMBL2928646 0.83 BRAF (0.37) BRAFKDM4ETTKFLT3SYK
Trifluoroacetic Acid SCHEMBL2960848 0.83 TMEM97 (0.40) POLBHTTCCNA2CDK2
SCHEMBL2930653 0.82 TMEM97 (0.43) POLBTTKCCNA2CDK2
SCHEMBL2927744 0.82 BRAF (0.39) BRAFKDM4EHSD17B10POLBTTK
SCHEMBL2928408 0.78 PIM3 (0.46) BRAFTTKFLT3CCNA2CDK2
SCHEMBL2927174 0.76 BRAF (0.46) BRAF
Trifluoroacetic Acid SCHEMBL2933159 0.74 MAPT (0.38) KDM4EPOLBALDH1A1CCNA2CDK2
Trifluoroacetic Acid SCHEMBL2931064 0.74 TMEM97 (0.41) HSD17B10HTTALDH1A1

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 524/4885KDM4E 2380/4885HSD17B10 2951/4885

“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.