SCHEMBL3610146

SCHEMBL3610146

Fc1cc(-c2cc(N3CCOCC3)nc(CNCCc3ccccc3)n2)c2cc[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 12/20 0.45
PIK3CA P42336 5/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CB P42338 2/20 0.40
OGA O60502 1/20 0.39
MTOR P42345 1/20 0.38
PRKDC P78527 1/20 0.38

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
SCHEMBL3599352 0.92 ATR (0.47) ATRPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3606593 0.86 ATR (0.43) ATRPIK3CAPIK3CDMTOR
SCHEMBL3603561 0.86 ATR (0.47) ATRPIK3CAPIK3CDMTORPRKDC
SCHEMBL3604884 0.86 ATR (0.47) ATRPIK3CAMTORPRKDC
SCHEMBL13119567 0.85 PIK3CA (0.49) ATRPIK3CAPIK3CDPIK3CB
SCHEMBL3588246 0.81 ATR (0.52) ATRPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3807678 0.80 NAPEPLD (0.55) ATR
SCHEMBL1026280 0.79 NPSR1 (0.59) ATRPIK3CAPIK3CDMTORPRKDC
SCHEMBL1028146 0.78 PIK3CA (0.71) ATRPIK3CAPIK3CBOGA
SCHEMBL1028442 0.78 PIK3CA (0.54) ATRPIK3CAPIK3CDPIK3CBOGA

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 9 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
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 1/4885PIK3CD 2/4885

“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.