SCHEMBL4200332

SCHEMBL4200332

Cc1csc(S(=O)(=O)C2(c3cc(N4CCOCC4)nc(-c4ccc(N)cc4)n3)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATR Q13535 17/20 0.57
SMN1; SMN2 Q16637 1/20 0.44
PIK3CA P42336 2/20 0.43
MTOR P42345 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL4196896 0.87 MTOR (0.48) ATRPIK3CAMTOR
SCHEMBL3928892 0.85 MTOR (0.51) ATRPIK3CAMTOR
SCHEMBL4203338 0.84 MTOR (0.46) ATRPIK3CAMTOR
SCHEMBL4202731 0.84 MTOR (0.46) ATRPIK3CAMTOR
SCHEMBL4197826 0.83 PIK3CA (0.59) ATRPIK3CAMTOR
SCHEMBL3932956 0.83 ATR (0.48) ATRPIK3CAMTOR
SCHEMBL3923841 0.83 ATR (0.80) ATRPIK3CAMTOR
SCHEMBL3928847 0.83 ATR (0.47) ATRPIK3CAMTOR
SCHEMBL4195803 0.82 ATR (0.45) ATRPIK3CAMTORKMT2A
SCHEMBL4203443 0.82 MTOR (0.51) ATRPIK3CAMTOR

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 1185/4885SMN1; SMN2 2003/4885PIK3CA 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.