SCHEMBL3926554

SCHEMBL3926554

O=C(Nc1ccc(-c2nc(N3CCOCC3)cc(C3(S(=O)(=O)C4CC4)CCCC3)n2)cc1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.52
PIK3CA P42336 8/20 0.50
MTOR P42345 8/20 0.50
PIK3CG P48736 4/20 0.50
PIK3CD O00329 3/20 0.50
PIK3CB P42338 2/20 0.50
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4206518 0.98 ATR (0.52) ATRPIK3CAMTORPIK3CGPIK3CD
SCHEMBL4198258 0.97 ATR (0.56) ATRPIK3CAMTORPIK3CGPIK3CD
SCHEMBL3929318 0.91 ATR (0.66) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL4207007 0.90 PIK3CA (0.64) ATRPIK3CAMTORPIK3CGPIK3CD
SCHEMBL4207002 0.90 PIK3CA (0.64) ATRPIK3CAMTORPIK3CGPIK3CD
SCHEMBL3928177 0.89 ATR (0.66) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL4197184 0.88 PIK3CA (0.64) ATRPIK3CAMTORPIK3CGPIK3CD
SCHEMBL4208901 0.87 ATR (0.70) ATRPIK3CAMTORPIK3CD
SCHEMBL4196671 0.86 ATR (0.57) ATRPIK3CAMTORPIK3CGPIK3CD
SCHEMBL4209490 0.86 PIK3CA (0.68) ATRPIK3CAMTORPIK3CGPIK3CD

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
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 ATR 1185/4885PIK3CA 2/4885MTOR 1/4885

“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.