SCHEMBL3608310

SCHEMBL3608310

c1cncc(CNCc2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.61
ATR Q13535 11/20 0.61
MTOR P42345 7/20 0.61
PRKDC P78527 1/20 0.61
PIK3CD O00329 4/20 0.47
PIK3CB P42338 4/20 0.47
PIK3CG P48736 4/20 0.47

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
SCHEMBL3600426 0.90 ATR (0.66) PIK3CAATRMTORPRKDCPIK3CD
SCHEMBL3596477 0.85 ATR (0.61) PIK3CAATRMTORPRKDCPIK3CD
SCHEMBL3602877 0.84 ATR (0.63) PIK3CAATRMTORPRKDCPIK3CD
SCHEMBL3608878 0.82 ATR (0.65) PIK3CAATRMTORPRKDCPIK3CD
SCHEMBL13406366 0.82 PIK3CA (0.58) PIK3CAATRMTORPRKDCPIK3CD
SCHEMBL3596955 0.82 ATR (0.49) PIK3CAATRMTORPRKDCPIK3CD
SCHEMBL3606344 0.81 ATR (0.65) PIK3CAATRMTORPRKDCPIK3CD
SCHEMBL3614240 0.81 ATR (0.60) PIK3CAATRMTORPRKDCPIK3CD
SCHEMBL19146366 0.80 ATR (0.77) PIK3CAATRMTORPRKDCPIK3CD
SCHEMBL3596472 0.79 ATR (0.61) PIK3CAATRMTORPRKDCPIK3CD

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 10 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
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 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 (2 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 PIK3CA 4318/4885ATR 4621/4885MTOR 4191/4885
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.