SCHEMBL4198487

SCHEMBL4198487

C[C@H]1COC[C@H](C)N1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.54
MTOR P42345 2/20 0.47
KCNH2 Q12809 2/20 0.47
PIK3CA P42336 2/20 0.47
ATRIP Q8WXE1 2/20 0.47
TAF1 P21675 1/20 0.47
PIK3R1 P27986 1/20 0.47
PRKDC P78527 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
SCHEMBL4167867 0.89 MTOR (0.53) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL4205311 0.89 MTOR (0.53) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL4207774 0.87 ATR (0.47) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL4168167 0.87 ATR (0.47) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL3936095 0.87 ATR (0.63) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL4200888 0.83 ATR (0.59) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL4207238 0.83 ATR (0.59) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL4202073 0.83 ATR (0.59) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL3927467 0.83 PIK3CA (0.48) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL3923841 0.81 ATR (0.80) ATRMTORPIK3CA

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 1185/4885MTOR 1/4885KCNH2 4317/4885

“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.