SCHEMBL4196671

SCHEMBL4196671

O=C(Nc1ccc(-c2nc(N3CCOCC3)cc(C3(S(=O)(=O)c4ccccc4)CC3)n2)cc1)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 6/20 0.57
PIK3CA P42336 7/20 0.46
PIK3CD O00329 3/20 0.46
PIK3CB P42338 2/20 0.46
MTOR P42345 6/20 0.45
PIK3CG P48736 3/20 0.45
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL4197947 0.95 ATR (0.54) ATRPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL4207554 0.95 ATR (0.53) ATRPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL4208901 0.91 ATR (0.70) ATRPIK3CAPIK3CDMTOR
SCHEMBL3929968 0.90 ATR (0.55) ATRPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL4198258 0.89 ATR (0.56) ATRPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL4198492 0.89 ATR (0.55) ATRPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3928177 0.88 ATR (0.66) ATRPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3929318 0.88 ATR (0.66) ATRPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL4197784 0.88 PIK3CA (0.55) ATRPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL4203416 0.87 ATR (0.52) ATRPIK3CAPIK3CDPIK3CBMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2/4885PIK3CD 4/4885

“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.