SCHEMBL3596640

SCHEMBL3596640

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 10/20 0.50
PIK3CA P42336 10/20 0.46
NAPEPLD Q6IQ20 2/20 0.40
MTOR P42345 4/20 0.40
PRKDC P78527 1/20 0.40
PIK3CB P42338 2/20 0.39
PIK3CG P48736 1/20 0.39
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL3600404 0.87 PIK3CA (0.47) ATRPIK3CANAPEPLDMTORPRKDC
SCHEMBL3607287 0.86 PIK3CA (0.45) ATRPIK3CAMTORPRKDC
SCHEMBL3602059 0.85 PIK3CA (0.44) ATRPIK3CAMTORPRKDC
SCHEMBL3607385 0.85 PIK3CA (0.45) ATRPIK3CANAPEPLDMTORPRKDC
SCHEMBL1027127 0.84 PIK3CA (0.68) ATRPIK3CANAPEPLDPIK3CBPIK3CG
SCHEMBL3598933 0.79 PIK3CA (0.47) ATRPIK3CANAPEPLDMTORPRKDC
SCHEMBL1026996 0.78 PIK3CA (0.68) ATRPIK3CANAPEPLDPIK3CBPIK3CG
SCHEMBL3606859 0.77 ATR (0.52) ATRPIK3CAMTORPRKDC
SCHEMBL3040686 0.77 PIK3CA (0.62) ATRPIK3CAPIK3CBPIK3CG
SCHEMBL3596951 0.77 ATR (0.53) ATRPIK3CAMTORPRKDCPIK3CB

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 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
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 1/4885NAPEPLD 3438/4885

“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.