SCHEMBL3593423

SCHEMBL3593423

CS(=O)(=O)c1nc(-c2cccc3[nH]ccc23)cc(N2CCOCC2)n1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 17/20 0.63
PIK3CA P42336 6/20 0.63
MTOR P42345 5/20 0.63
PRKDC P78527 1/20 0.63
PIK3CD O00329 1/20 0.58
CHEK1 O14757 2/20 0.56
PDCD1 Q15116 2/20 0.51
CD274 Q9NZQ7 2/20 0.51
PIK3R1 P27986 1/20 0.49
ATRIP Q8WXE1 1/20 0.49

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
SCHEMBL1028524 0.86 ATR (0.62) ATRPIK3CAMTORPRKDCCHEK1
SCHEMBL1028445 0.84 ATR (0.64) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3612757 0.81 ATR (0.57) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL1309356 0.81 PIK3CD (0.64) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL15269030 0.80 PIK3CD (0.63) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL13119633 0.80 PIK3CD (0.58) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3600849 0.79 PIK3CD (0.55) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3602623 0.79 PIK3CA (0.55) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL13142276 0.79 PIK3CD (0.60) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3612884 0.79 PIK3CD (0.57) ATRPIK3CAMTORPRKDCPIK3CD

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-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 ATR 957/4885PIK3CA 1/4885MTOR 14/4885

“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.