SCHEMBL3602620

SCHEMBL3602620

CC(C)(C)OC(=O)NCCc1nc(-c2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc(N2CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.44
HTR6 P50406 13/20 0.42
BCHE P06276 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
ATR Q13535 2/20 0.39
ATRIP Q8WXE1 1/20 0.38
RAF1 P04049 2/20 0.37
BRAF P15056 2/20 0.37
PIK3C3 Q8NEB9 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
SCHEMBL3608929 0.83 HTR6 (0.49) AKT1HTR6HTR1ADRD2HTR2A
SCHEMBL3598566 0.79 HTR6 (0.40) HTR6ATRATRIPRAF1BRAF
SCHEMBL3603746 0.79 ATR (0.49) AKT1ATR
SCHEMBL13119749 0.73 AKT1 (0.51) AKT1
SCHEMBL3722970 0.73 AKT1 (0.51) AKT1DRD2RAF1BRAF
SCHEMBL14042660 0.67 ATR (0.42) AKT1ATR
SCHEMBL29783668 0.67 HTR6 (0.53) HTR6BCHEHTR1ADRD2HTR2A
SCHEMBL20742940 0.67 HTR6 (0.53) HTR6BCHEHTR1ADRD2HTR2A
SCHEMBL7309785 0.66 NQO2 (0.48) HTR6HTR1ADRD2
SCHEMBL7310220 0.64 HTR6 (0.53) HTR6HTR1ADRD2

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-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 AKT1 41/4885HTR6 1760/4885BCHE 3926/4885

“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.