SCHEMBL5546359

SCHEMBL5546359

COC(=O)c1cn(C2CC2)c2cc(NCCN)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
ADRB2 P07550 1/20 0.45
GSK3B P49841 3/20 0.45
CYP1A2 P05177 1/20 0.45
TOP2A P11388 1/20 0.45
CYP2C9 P11712 1/20 0.45
TOP2B Q02880 1/20 0.45
KCNH2 Q12809 3/20 0.42
PIK3CG P48736 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL31402735 0.89 KDM4E (0.58) TOP1KDM4EALDH1A1LMNAHPGD
SCHEMBL3975715 0.89 KDM4E (0.58) TOP1KDM4EALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL4914817 0.88 KDM4E (0.57) TOP1KDM4EALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL30748683 0.88 KDM4E (0.57) TOP1KDM4EALDH1A1LMNAHPGD
SCHEMBL4914088 0.88 ALDH1A1 (0.39) TOP1KDM4EALDH1A1LMNAHPGD
SCHEMBL9577810 0.85 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL30781557 0.85 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL27545946 0.84 TOP1 (0.44) TOP1KDM4EALDH1A1LMNAHPGD
Trifluoroacetic Acid SCHEMBL5546378 0.84 TOP1 (0.47) TOP1KDM4EALDH1A1LMNAHPGD
SCHEMBL5544784 0.83 KDM4E (0.56) TOP1KDM4EALDH1A1LMNAHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453846-B1 14 OR 15 MEMBERED MACROLIDES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2007-05-16 EP disclosed
US-7202221-B2 Macrolides GLAXO GROUP LIMITED (GB) 2007-04-10 US disclosed
US-20050080025-A1 Macrolides PLIVA D.D. (HR) 2005-04-14 US disclosed
EP-1453846-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2004-09-08 EP disclosed
WO-2003042228-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2003-05-22 WO 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-20050080025-A1 Macrolides IL17A, CYP51A1, IL15 TOP1 1909/4885KDM4E 2733/4885ALDH1A1 2889/4885

“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.