SCHEMBL3604924

SCHEMBL3604924

c1cc(-c2cc(N3CCOCC3)nc(CN3CCC(c4ccncc4)CC3)n2)c2cc[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.49
PIK3CA P42336 12/20 0.47
ATR Q13535 8/20 0.47
MTOR P42345 4/20 0.47
PRKDC P78527 1/20 0.47
PIK3CB P42338 7/20 0.43
PIK3CG P48736 7/20 0.43
ATRIP Q8WXE1 1/20 0.43

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
SCHEMBL3610132 0.83 PIK3CD (0.53) PIK3CDPIK3CAATRMTORPRKDC
SCHEMBL3605796 0.79 PIK3CD (0.54) PIK3CDPIK3CAATRMTORPRKDC
SCHEMBL3610135 0.79 PIK3CD (0.48) PIK3CDPIK3CAATRMTORPRKDC
SCHEMBL13142276 0.79 PIK3CD (0.60) PIK3CDPIK3CAATRMTORPRKDC
SCHEMBL3612884 0.77 PIK3CD (0.57) PIK3CDPIK3CAATRMTORPRKDC
SCHEMBL3602068 0.76 KMT2A (0.44) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL3608957 0.76 PIK3CA (0.59) PIK3CDPIK3CAATRMTORPRKDC
SCHEMBL3612882 0.75 ATR (0.55) PIK3CDPIK3CAATRMTORPRKDC
SCHEMBL3612879 0.74 PIK3CD (0.56) PIK3CDPIK3CAATRMTORPRKDC
SCHEMBL13119670 0.74 ATR (0.49) PIK3CDPIK3CAATRMTORPRKDC

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
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
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 PIK3CD 2/4885PIK3CA 1/4885ATR 957/4885

“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.