SCHEMBL16212966

SCHEMBL16212966

CC(C)(C)OC(=O)N1CCC(CNCc2ccc3c(n2)NC(=O)CS3)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
NOTCH1 P46531 1/20 0.40
DDB1 Q16531 3/20 0.39
CRBN Q96SW2 3/20 0.39
KDM1A O60341 2/20 0.39
BACE1 P56817 1/20 0.39
NAMPT P43490 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
GLS O94925 1/20 0.39
TGFBR1 P36897 2/20 0.39
FAAH O00519 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
SCHEMBL3277863 0.95 IDO1 (0.41) KDM4EPKMMAPTJAK2NOTCH1
SCHEMBL16213231 0.88 KCNH2 (0.43)
SCHEMBL14367721 0.80 KCNH2 (0.42)
SCHEMBL3271883 0.77 KCNH2 (0.44) NAMPT
SCHEMBL14611171 0.76 GPR119 (0.51) GPR119
SCHEMBL3277869 0.76 KCNH2 (0.36)
SCHEMBL3272794 0.76 LIMK2 (0.40) JAK2JAK1BACE1GPR119
SCHEMBL16213215 0.75 KCNH2 (0.46)
SCHEMBL6584233 0.75 KDM4E (0.51) KDM4EPKMMAPTJAK2JAK1
SCHEMBL20379150 0.74 KDM4E (0.50) KDM4EPKMMAPTJAK2JAK1

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-2991992-B1 QUINOLONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-07-25 EP disclosed
US-9540399-B2 Quinolone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-10 US disclosed
EP-2991992-A1 QUINOLONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-03-09 EP disclosed
US-20160060276-A1 QUINOLONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-03 US disclosed
WO-2014178008-A1 QUINOLONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-11-06 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-20160060276-A1 QUINOLONE DERIVATIVES NQO2, QARS1, RECQL KDM4E 2055/4885PKM 3911/4885MAPT 3665/4885

“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.