SCHEMBL3933003

SCHEMBL3933003

O=S(=O)(CCO)C1(c2cc(N3CCOCC3)nc(Cl)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.49
PIK3CA P42336 2/20 0.42
MTOR P42345 1/20 0.42
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL2491916 0.87 ATR (0.52) ATRPIK3CAMTOR
SCHEMBL3926084 0.85 ATR (0.48) ATRPIK3CAMTORRAF1BRAF
SCHEMBL3927088 0.84 ATR (0.46) ATRPIK3CAMTORRAF1BRAF
SCHEMBL3926666 0.83 MTOR (0.49) ATRPIK3CAMTOR
SCHEMBL3926661 0.83 MTOR (0.49) ATRPIK3CAMTOR
SCHEMBL2488150 0.82 ATR (0.66) ATRPIK3CAMTOR
SCHEMBL3926920 0.82 ATR (0.47) ATRPIK3CAMTORRAF1BRAF
SCHEMBL3930390 0.82 ATR (0.45) ATRPIK3CAMTORRAF1BRAF
SCHEMBL3927748 0.81 ATR (0.46) ATRPIK3CAMTOR
SCHEMBL3926730 0.81 ATR (0.60) 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 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.