SCHEMBL3936095

SCHEMBL3936095

C[C@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.63
MTOR P42345 3/20 0.63
ATRIP Q8WXE1 3/20 0.63
PIK3CA P42336 3/20 0.63
KCNH2 Q12809 2/20 0.63
TAF1 P21675 1/20 0.63
PIK3R1 P27986 1/20 0.63
PRKDC P78527 1/20 0.63
ATM Q13315 1/20 0.63
PIK3CD O00329 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55

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
SCHEMBL4202073 0.96 ATR (0.59) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL4200888 0.96 ATR (0.59) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL4207238 0.96 ATR (0.59) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL4201861 0.91 ATR (0.54) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL4208582 0.90 MTOR (0.55) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL8098740 0.90 MTOR (0.53) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL4212952 0.90 MTOR (0.67) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL4205433 0.90 MTOR (0.53) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL4202736 0.90 MTOR (0.53) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL4206975 0.88 PIK3CA (0.59) ATRMTORATRIPPIK3CAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP 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
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 1/4885ATRIP 3765/4885

“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.