SCHEMBL633747

SCHEMBL633747

COc1ccc2ncnc(O[C@@H]3CCNC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.45
PIK3CA P42336 4/20 0.45
PIK3CB P42338 4/20 0.45
PIK3CG P48736 4/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MTNR1B P49286 2/20 0.43
MTNR1A P48039 1/20 0.43
IRAK4 Q9NWZ3 3/20 0.43
MAPT P10636 1/20 0.42
GRM1 Q13255 1/20 0.42
NCF1 P14598 1/20 0.42
CHRM1 P11229 1/20 0.42
PRKCZ Q05513 2/20 0.41
CHEK2 O96017 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
SCHEMBL633748 1.00 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL633927 1.00 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL634124 0.93 CYP1A2 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL29862704 0.81 NCF1 (0.50) KDM4ELMNAMAPK1IRAK4NCF1
Hydrochloric Acid SCHEMBL23360370 0.80 NCF1 (0.49) KDM4ELMNAMAPK1IRAK4NCF1
Hydrochloric Acid SCHEMBL23360367 0.80 NCF1 (0.49) KDM4ELMNAMAPK1IRAK4NCF1
SCHEMBL8176025 0.78 ROCK1 (0.55) IRAK4CHRM1PRKCZ
SCHEMBL3396546 0.77 MTNR1B (0.45) LMNAMTNR1BMTNR1AIRAK4MAPT
SCHEMBL18255965 0.77 MTNR1B (0.45) LMNAMTNR1BMTNR1AIRAK4MAPT
SCHEMBL3396544 0.77 MTNR1B (0.45) LMNAMTNR1BMTNR1AIRAK4MAPT

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 PIK3CD 3587/4885PIK3CA 3742/4885PIK3CB 4545/4885

“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.