SCHEMBL2490833

SCHEMBL2490833

CC(C)(C)OC(=O)N1CCC(c2cc(N3CCOCC3)nc(Cl)n2)(S(C)(=O)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.50
PIK3CA P42336 3/20 0.44
MTOR P42345 2/20 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
SCHEMBL2492707 0.90 ATR (0.43) ATRPIK3CAMTOR
SCHEMBL2489969 0.86 ATR (0.51) ATRPIK3CAMTOR
SCHEMBL4210198 0.86 ATR (0.51) ATRPIK3CAMTOR
SCHEMBL6520863 0.86 ATR (0.51) ATRPIK3CAMTOR
SCHEMBL27852031 0.85 ATR (0.50) ATRPIK3CAMTOR
SCHEMBL2488150 0.84 ATR (0.66) ATRPIK3CAMTOR
SCHEMBL22790318 0.84 ATR (0.49) ATRPIK3CAMTOR
SCHEMBL29525766 0.84 ATR (0.49) ATRPIK3CAMTOR
SCHEMBL2489967 0.83 ATR (0.61) ATRPIK3CAMTOR
SCHEMBL24851269 0.82 USP2 (0.54) PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379530-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2011-10-26 EP disclosed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US disclosed
WO-2010073034-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2010-07-01 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-20110053923-A1 CHEMICAL COMPOUNDS 610 ABCG2, CYP3A7, CYP2C19 ATR 2253/4885PIK3CA 1564/4885MTOR 954/4885

“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.