SCHEMBL5717596

SCHEMBL5717596

NC(=O)c1cc2cnccc2nc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
SIRT3 Q9NTG7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IKBKB O14920 1/20 0.39
RAF1 P04049 1/20 0.37
CDK5 Q00535 3/20 0.37
DYRK1A Q13627 3/20 0.37
CLK2 P49760 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
RET P07949 1/20 0.37
PIM1 P11309 1/20 0.37

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
SCHEMBL3714502 0.87 DHODH (0.42) KDM4ETDP1RAF1P2RX1KMT2A
SCHEMBL1353000 0.80 IKBKB (0.61) KDM4EIKBKBPARP1KMT2ARXFP1
SCHEMBL5207869 0.77 KDM4E (0.56) KDM4EHTTSIRT3TDP1IKBKB
SCHEMBL3789886 0.75 DHODH (0.42) KDM4EHTTTDP1P2RX1KMT2A
SCHEMBL6206416 0.73 RAB9A (0.47) RAF1
SCHEMBL6206414 0.73 RAB9A (0.47) RAF1
SCHEMBL3160780 0.73 KDM5A (0.34) KDM4EDYRK1ACLK1KMT2A
SCHEMBL5717652 0.71 PARP1 (0.46) KDM4EHTTIKBKBMAP4K4PIM1
SCHEMBL5799476 0.71 KDM4E (0.48) KDM4EHTTSIRT3TDP1IKBKB
SCHEMBL1966341 0.69 SIRT3 (0.55) KDM4EHTTSIRT3TDP1CDK5

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
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 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 (2 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885HTT 3482/4885SIRT3 680/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885HTT 3482/4885SIRT3 680/4885

“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.