SCHEMBL4196995

SCHEMBL4196995

C[C@H]1COCCN1c1cc(C2(S(=O)(=O)c3ccccc3)CCCC2)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.49
ATRIP Q8WXE1 5/20 0.49
MTOR P42345 4/20 0.49
PIK3CA P42336 3/20 0.49
TAF1 P21675 3/20 0.49
KCNH2 Q12809 2/20 0.49
PRKDC P78527 2/20 0.49
PIK3R1 P27986 1/20 0.49
ATM Q13315 1/20 0.49
PIK3CD O00329 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
CHEK1 O14757 2/20 0.47
PDCD1 Q15116 2/20 0.47
CD274 Q9NZQ7 2/20 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
SCHEMBL4210192 0.98 ATR (0.49) ATRATRIPMTORPIK3CATAF1
SCHEMBL4207176 0.96 ATR (0.52) ATRATRIPMTORPIK3CATAF1
SCHEMBL4206721 0.95 ATR (0.53) ATRATRIPMTORPIK3CATAF1
SCHEMBL8098740 0.92 MTOR (0.53) ATRATRIPMTORPIK3CATAF1
SCHEMBL4207951 0.91 ATR (0.54) ATRATRIPMTORPIK3CATAF1
SCHEMBL4201065 0.91 MTOR (0.48) ATRATRIPMTORPIK3CATAF1
SCHEMBL4204441 0.90 ATR (0.49) ATRATRIPMTORPIK3CATAF1
SCHEMBL4210713 0.89 ATR (0.55) ATRATRIPMTORPIK3CATAF1
SCHEMBL4203464 0.89 MTOR (0.51) ATRATRIPMTORPIK3CATAF1
SCHEMBL4198644 0.88 ATR (0.48) ATRATRIPMTORPIK3CATAF1

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 1185/4885ATRIP 3765/4885MTOR 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.