SCHEMBL3607287

SCHEMBL3607287

CN(Cc1cccnc1)Cc1nc(-c2cc(S(C)(=O)=O)cc3[nH]ccc23)cc(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.45
ATR Q13535 17/20 0.44
MTOR P42345 5/20 0.44
PRKDC P78527 1/20 0.44
CHEK1 O14757 1/20 0.40

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
SCHEMBL3602059 0.93 PIK3CA (0.44) PIK3CAATRMTORPRKDCCHEK1
SCHEMBL3599563 0.88 ATR (0.54) PIK3CAATRMTORPRKDC
SCHEMBL3600404 0.88 PIK3CA (0.47) PIK3CAATRMTORPRKDC
SCHEMBL3596640 0.86 ATR (0.50) PIK3CAATRMTORPRKDC
SCHEMBL3607385 0.85 PIK3CA (0.45) PIK3CAATRMTORPRKDC
SCHEMBL1028951 0.84 PIK3CA (0.67) PIK3CAATRMTORPRKDC
SCHEMBL3607286 0.83 ATR (0.45) PIK3CAATRMTORPRKDCCHEK1
SCHEMBL3606859 0.82 ATR (0.52) PIK3CAATRMTORPRKDCCHEK1
SCHEMBL3598933 0.80 PIK3CA (0.47) PIK3CAATRMTORPRKDC
SCHEMBL13119579 0.79 ATR (0.50) PIK3CAATRMTORPRKDCCHEK1

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 claimed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP claimed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO claimed
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

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 PIK3CA 1/4885ATR 957/4885MTOR 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.