SCHEMBL4207261

SCHEMBL4207261

C[C@H]1COCCN1c1cc(C2(S(=O)(=O)c3ccccc3)CCC2)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.49
PIK3CA P42336 3/20 0.49
MTOR P42345 4/20 0.48
KCNH2 Q12809 3/20 0.48
ATRIP Q8WXE1 5/20 0.48
TAF1 P21675 3/20 0.47
PRKDC P78527 2/20 0.47
PIK3R1 P27986 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL4198871 0.98 ATR (0.49) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL4204399 0.96 ATR (0.52) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL4208726 0.94 ATR (0.50) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL4203815 0.91 ATR (0.49) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL4203153 0.91 ATR (0.47) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL4194587 0.91 ATR (0.49) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL4207731 0.88 ATR (0.54) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL4207254 0.87 ATR (0.53) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL4201748 0.87 ATR (0.51) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL4199383 0.87 ATR (0.47) ATRPIK3CAMTORKCNH2ATRIP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801962-A Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases ASTRAZENECA AB 2010-08-11 CN 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

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.