SCHEMBL3583797

SCHEMBL3583797

CC(C)(C)OC(=O)NC1CCCCC1(O)C(=O)Nc1ccnc2ccncc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.35
JAK2 O60674 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
BRS3 P32247 1/20 0.35
KDR P35968 3/20 0.32
EGFR P00533 2/20 0.32
KDM4D Q6B0I6 1/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
EPHB4 P54760 1/20 0.32
PRKDC P78527 1/20 0.32
FLT4 P35916 2/20 0.31
GSK3B P49841 2/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL5263242 0.85 KCNH2 (0.42) SLC22A12KDREGFRPIK3CDABL1
SCHEMBL5260906 0.80 CDK8 (0.41) JAK1JAK2KDRGSK3BCDK8
SCHEMBL5635423 0.78 ALDH1A1 (0.35) KDREGFRPIK3CAMTORPRKDC
SCHEMBL5264535 0.78 KCNH2 (0.37) KDM4DMAP4K4RET
SCHEMBL3581635 0.76 ADAM17 (0.36) JAK1JAK2MAP4K4CDK5
SCHEMBL3581356 0.76 ADAM17 (0.34) MAP4K4
SCHEMBL3580109 0.74 TYK2 (0.33) KDM4DRET
SCHEMBL3577828 0.72 MAPT (0.42) MAPTSMN1; SMN2GAA
SCHEMBL3574051 0.70 MTNR1A (0.39)
SCHEMBL6195942 0.70 KDM1A (0.32) KDM4DCDK1CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 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 (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-20060189604-A1 Compounds ELANE, PIGS, SDHA JAK1 4758/4885JAK2 3578/4885SLC22A12 2757/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS JAK1 4767/4885JAK2 4631/4885SLC22A12 2673/4885

“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.