SCHEMBL633007

SCHEMBL633007

COc1ccc2nccc(NC(=O)C3CN(C(=O)OC(C)(C)C)C3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.50
PIK3CD O00329 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
TBK1 Q9UHD2 2/20 0.38
BUB1 O43683 1/20 0.38
NTRK1 P04629 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
USP30 Q70CQ3 1/20 0.37
CYP8B1 Q9UNU6 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIK3CA P42336 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
SCHEMBL5775818 0.84 MAP4K4 (0.45) KCNH2PIK3CDTBK1ALDH1A1MAP4K4
SCHEMBL5636821 0.83 KCNH2 (0.57) KCNH2MAP4K4
SCHEMBL5517568 0.81 KCNH2 (0.44) KCNH2ABL1CYP8B1MAP4K4
SCHEMBL5517583 0.81 KCNH2 (0.44) KCNH2ABL1CYP8B1MAP4K4
SCHEMBL5748598 0.80 KCNH2 (0.44) KCNH2PIK3CDTBK1MAP4K4
SCHEMBL5747110 0.80 KCNH2 (0.44) KCNH2PIK3CDTBK1NTRK1MAP4K4
SCHEMBL5748379 0.80 KCNH2 (0.51) KCNH2TBK1CYP8B1MAP4K4
SCHEMBL633958 0.79 KCNH2 (0.54) KCNH2ALDH1A1HTT
SCHEMBL633218 0.79 PIK3CD (0.51) PIK3CDTBK1CYP8B1MAP4K4PIK3CA
SCHEMBL5509547 0.78 CYP2C9 (0.45) KCNH2PIK3CDALDH1A1

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
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 US disclosed
EP-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 KCNH2 31/4885PIK3CD 3587/4885PTPN2 2651/4885

“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.