SCHEMBL4200372

SCHEMBL4200372

Cc1csc(S(=O)(=O)C2(c3cc(N4CCOC[C@@H]4C)nc(Cl)n3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.47
ATRIP Q8WXE1 4/20 0.47
PIK3CA P42336 3/20 0.46
MTOR P42345 4/20 0.45
KCNH2 Q12809 3/20 0.45
TAF1 P21675 3/20 0.44
PRKDC P78527 2/20 0.44
PIK3R1 P27986 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL4194641 0.96 ATR (0.44) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL3936884 0.96 ATR (0.44) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL4195803 0.85 ATR (0.45) ATRPIK3CAMTOR
SCHEMBL4201830 0.85 ATR (0.47) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL4199248 0.85 ATR (0.47) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL4195762 0.85 ATR (0.49) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL4196896 0.84 MTOR (0.48) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL2490425 0.82 ATR (0.64) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL2489779 0.82 ATR (0.64) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL2491932 0.82 ATR (0.64) ATRATRIPPIK3CAMTORKCNH2

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 1185/4885ATRIP 3765/4885PIK3CA 2/4885

“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.