SCHEMBL2931460

SCHEMBL2931460

Cc1ccc(C(=O)N2CCN(C)CC2)cc1Nc1cncc(-c2ccc(OC(=O)C(F)(F)F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.45
PIM3 Q86V86 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ABL1 P00519 5/20 0.40
BCR P11274 5/20 0.40
KCNH2 Q12809 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
STAT3 P40763 1/20 0.39
CDK6 Q00534 1/20 0.38
ATR Q13535 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2935031 0.91 PIM3 (0.40) PIM3HDAC4HDAC2HDAC8HDAC6
SCHEMBL2933931 0.90 PIM3 (0.53) PIM3HDAC4HDAC2HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL2931457 0.88 FASN (0.46) FASNPIM3HDAC4HDAC2HDAC8
SCHEMBL13515277 0.87 FASN (0.50) FASNPIM3ABL1BCRMKNK1
Trifluoroacetic Acid SCHEMBL2933929 0.80 PIM3 (0.51) PIM3HDAC4HDAC2HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL2935027 0.79 MKNK1 (0.41) PIM3HDAC4HDAC2HDAC8HDAC6
SCHEMBL13515311 0.78 PIM3 (0.54) PIM3KCNH2MKNK1MKNK2DYRK1A
SCHEMBL13515300 0.77 MKNK1 (0.46) FASNABL1BCRMKNK1MKNK2
SCHEMBL2934437 0.76 TTK (0.52) PIM3DYRK1A
SCHEMBL2932525 0.76 LRRK2 (0.46) ABL1BCRMKNK1MKNK2ATR

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 FASN 4597/4885PIM3 2131/4885HDAC4 1040/4885

“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.