SCHEMBL3608929

SCHEMBL3608929

NCCc1nc(-c2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc(N2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.49
HTR1A P08908 2/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR1F P30939 1/20 0.49
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49
ATR Q13535 2/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
ATRIP Q8WXE1 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PIK3CA P42336 2/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
PIK3CB P42338 1/20 0.39
AKT1 P31749 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL3602620 0.83 AKT1 (0.44) HTR6HTR1AATRDRD2HTR2A
SCHEMBL14042660 0.81 ATR (0.42) ATRPIK3CAPIK3CBAKT1MTOR
SCHEMBL3598566 0.81 HTR6 (0.40) HTR6ATRATRIPPIK3CA
SCHEMBL739877 0.68 HTR6 (1.00) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3610066 0.67 PIK3CA (0.38) PIK3CAPIK3C3PIK3CBAKT1MTOR
SCHEMBL13142276 0.67 PIK3CD (0.60) ATRATRIPPIK3CAMTOR
SCHEMBL16796479 0.67 HTR6 (0.75) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL15757698 0.66 HTR6 (0.54) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3612757 0.66 ATR (0.57) ATRATRIPPIK3CAMTOR
SCHEMBL16796519 0.65 HTR6 (0.55) HTR6HTR1AHTR1DHTR1BHTR1F

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 HTR6 1760/4885HTR1A 2701/4885HTR1D 2691/4885

“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.