SCHEMBL4886439

SCHEMBL4886439

CN1CCN(C(=O)c2ccc(-c3cncc(-c4[nH]c5ccccc5c4OC(=O)C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
KCNH2 Q12809 3/20 0.43
FLT3 P36888 1/20 0.42
PARP1 P09874 1/20 0.42
ALK Q9UM73 1/20 0.42
MAP3K11 Q16584 1/20 0.41
TLR9 Q9NR96 3/20 0.41
TLR8 Q9NR97 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
MAPK10 P53779 1/20 0.41
TNKS O95271 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
KDR P35968 1/20 0.40
RIPK1 Q13546 1/20 0.40
CHEK1 O14757 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL2932798 0.90 KCNH2 (0.43) KCNH2FLT3MAPK10KDRRIPK1
Trifluoroacetic Acid SCHEMBL4886432 0.76 RIPK1 (0.52) POLBKCNH2ALKMAP3K11KDR
SCHEMBL2932743 0.75 PADI4 (0.43)
SCHEMBL2931827 0.74 RIPK1 (0.59) POLBMAP3K11KDRRIPK1CHEK1
SCHEMBL12352755 0.69 POLB (0.61) POLBKCNH2CHEK1
SCHEMBL4891062 0.69 HRH4 (0.41) FLT3PDGFRBRIPK1HRH4
SCHEMBL13515275 0.67 POLB (0.52) POLBKCNH2TNKSRIPK1CHEK1
SCHEMBL8158988 0.66 POLB (1.00) POLB
SCHEMBL20449050 0.66 POLB (0.86) POLBHDAC4HDAC2HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL2932794 0.66 RIPK1 (0.52) POLBKCNH2RIPK1HDAC4

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
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN 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 POLB 1721/4885KCNH2 1056/4885FLT3 1513/4885

“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.