SCHEMBL6519019

SCHEMBL6519019

C[C@H]1COCCN1c1cc(C2(S(C)(=O)=O)CCOCC2)nc(-c2cccc3[nH]ccc23)n1

nearest known ligand 0.93

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.93
MTOR P42345 7/20 0.93
PIK3CA P42336 6/20 0.93
ATRIP Q8WXE1 5/20 0.93
PIK3R1 P27986 3/20 0.93
PRKDC P78527 3/20 0.93
KCNH2 Q12809 2/20 0.93
TAF1 P21675 1/20 0.93
ATM Q13315 1/20 0.93
CHEK1 O14757 1/20 0.69
PDCD1 Q15116 1/20 0.69
CD274 Q9NZQ7 1/20 0.69

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
SCHEMBL2512274 1.00 ATR (0.93) ATRMTORPIK3CAATRIPPIK3R1
SCHEMBL23389998 0.97 ATR (1.00) ATRMTORPIK3CAATRIPPIK3R1
SCHEMBL29374072 0.97 ATR (1.00) ATRMTORPIK3CAATRIPPIK3R1
SCHEMBL2511931 0.97 ATR (1.00) ATRMTORPIK3CAATRIPPIK3R1
SCHEMBL2514010 0.97 ATR (1.00) ATRMTORPIK3CAATRIPPIK3R1
SCHEMBL2511925 0.95 ATR (0.93) ATRMTORPIK3CAATRIPPIK3R1
SCHEMBL6525114 0.95 ATR (0.93) ATRMTORPIK3CAATRIPPIK3R1
SCHEMBL9978988 0.94 ATR (0.82) ATRMTORPIK3CAATRIPPIK3R1
SCHEMBL9978987 0.94 ATR (0.82) ATRMTORPIK3CAATRIPPIK3R1
SCHEMBL31165856 0.94 ATR (0.82) ATRMTORPIK3CAATRIPPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US claimed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 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-20110053923-A1 CHEMICAL COMPOUNDS 610 ABCG2, CYP3A7, CYP2C19 ATR 2253/4885MTOR 954/4885PIK3CA 1564/4885

“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.