SCHEMBL3602879

SCHEMBL3602879

CN(CCc1ccccc1)c1cc(N2CCOCC2)nc(-c2cccc3[nH]ccc23)n1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 13/20 0.58
PIK3CA P42336 7/20 0.58
MTOR P42345 6/20 0.58
PRKDC P78527 1/20 0.58
NAPEPLD Q6IQ20 4/20 0.50
ATRIP Q8WXE1 2/20 0.49
PIK3CD O00329 2/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48

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
SCHEMBL3803322 0.89 ATR (0.56) ATRPIK3CAMTORPRKDCNAPEPLD
SCHEMBL3811923 0.88 ATR (0.60) ATRPIK3CAMTORPRKDCATRIP
SCHEMBL3803325 0.82 ATR (0.60) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3599734 0.81 ATR (0.66) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3602877 0.79 ATR (0.63) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3603778 0.79 ATR (0.73) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3807678 0.79 NAPEPLD (0.55) ATRNAPEPLD
SCHEMBL19147383 0.78 ATR (0.70) ATRPIK3CAMTORPRKDCATRIP
SCHEMBL3600426 0.78 ATR (0.66) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL19146366 0.77 ATR (0.77) ATRPIK3CAMTORPRKDCATRIP

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US 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
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.