SCHEMBL5717652

SCHEMBL5717652

NC(=O)c1cc2cccnc2nc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.46
MGLL Q99685 1/20 0.42
CD38 P28907 2/20 0.42
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PLK4 O00444 1/20 0.39
MAP4K4 O95819 1/20 0.39
EGFR P00533 1/20 0.39
ROS1 P08922 1/20 0.39
PIM1 P11309 1/20 0.39
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
FRK P42685 1/20 0.39
MAP4K2 Q12851 1/20 0.39
NTRK3 Q16288 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
AURKB Q96GD4 1/20 0.39
HIPK2 Q9H2X6 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
SCHEMBL3433408 0.88 MGLL (0.43) PARP1MGLLKDM4ELMNAMEN1
SCHEMBL125418 0.87 KDM4E (0.47) MGLLKDM4ELMNAMEN1KMT2A
SCHEMBL123859 0.85 MGLL (0.42) MGLLCD38KDM4ELMNAMEN1
SCHEMBL13312285 0.85 MGLL (0.44) MGLLCD38KDM4ELMNAMEN1
SCHEMBL11909549 0.82 LMNA (0.50) MGLLKDM4ELMNAMEN1KMT2A
SCHEMBL973413 0.82 ALOX15 (0.45) MGLLKDM4EKMT2AHTTMAPT
SCHEMBL30813138 0.79 KDM4E (0.53) KDM4EHTTMAPT
SCHEMBL123322 0.79 KDM4E (0.53) KDM4EHTTMAPT
SCHEMBL14958512 0.78 IKBKB (0.58) PARP1KDM4ELMNAMEN1KMT2A
SCHEMBL30440154 0.78 MGLL (0.40) MGLLKDM4ELMNAMEN1KMT2A

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 4 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
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (3 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 PARP1 3696/4885MGLL 19/4885CD38 1693/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 PARP1 3696/4885MGLL 19/4885CD38 1693/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 PARP1 3588/4885MGLL 31/4885CD38 1862/4885

“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.