SCHEMBL4201580

SCHEMBL4201580

C[C@H]1COCCN1c1cc(CSC2CCOCC2)nc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 7/20 0.42
PIK3CA P42336 6/20 0.39
PIK3CD O00329 2/20 0.39
PDCD1 Q15116 6/20 0.38
CD274 Q9NZQ7 6/20 0.38
ATRIP Q8WXE1 6/20 0.38
CHEK1 O14757 5/20 0.38
MTOR P42345 4/20 0.38
PIK3C3 Q8NEB9 4/20 0.38
PIK3R1 P27986 1/20 0.37
ATM Q13315 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL4200583 0.96 ATR (0.42) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL3594631 0.93 ATR (0.42) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL9979222 0.85 ATR (0.46) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL9979218 0.85 ATR (0.46) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL3601083 0.82 ATR (0.43) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL3931913 0.81 ATR (0.46) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL9978856 0.81 ATR (0.46) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL9978858 0.81 ATR (0.46) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL13283659 0.80 ATR (0.42) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL9979390 0.80 PIK3CA (0.47) ATRPIK3CAPIK3CDPDCD1CD274

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 3 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

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 2/4885PIK3CD 4/4885

“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.