SCHEMBL6522212

SCHEMBL6522212

CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cc(Cl)cc4[nH]ccc34)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 1.00
PIK3CA P42336 3/20 0.77
MTOR P42345 3/20 0.77

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
SCHEMBL2517776 0.90 ATR (1.00) ATRPIK3CAMTOR
SCHEMBL2516329 0.89 ATR (1.00) ATRPIK3CAMTOR
SCHEMBL2514283 0.88 ATR (0.79) ATRPIK3CAMTOR
SCHEMBL2513260 0.88 ATR (1.00) ATRPIK3CAMTOR
SCHEMBL2517353 0.87 ATR (1.00) ATRPIK3CAMTOR
SCHEMBL2513205 0.87 ATR (1.00) ATRPIK3CAMTOR
SCHEMBL6516279 0.87 ATR (0.76) ATRPIK3CAMTOR
SCHEMBL6519884 0.85 ATR (1.00) ATRPIK3CAMTOR
SCHEMBL2511427 0.82 ATR (1.00) ATRPIK3CAMTOR
SCHEMBL6516267 0.79 ATR (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US claimed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US 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.