SCHEMBL2489969

SCHEMBL2489969

CC1COCCN1c1cc(C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)nc(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.51
ATRIP Q8WXE1 3/20 0.51
PIK3CA P42336 4/20 0.47
MTOR P42345 3/20 0.47
KCNH2 Q12809 3/20 0.47
PIK3R1 P27986 2/20 0.47
TAF1 P21675 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
SCHEMBL4210198 1.00 ATR (0.51) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL6520863 1.00 ATR (0.51) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL6524143 0.91 PIK3R1 (0.44) ATRATRIPPIK3CAMTORPIK3R1
SCHEMBL2492774 0.91 PIK3R1 (0.44) ATRATRIPPIK3CAMTORPIK3R1
SCHEMBL2488472 0.91 PIK3CA (0.47) ATRATRIPPIK3CAMTORPIK3R1
SCHEMBL2487547 0.91 PIK3CA (0.47) ATRATRIPPIK3CAMTORPIK3R1
SCHEMBL6525673 0.91 PIK3R1 (0.43) ATRATRIPPIK3CAMTORPIK3R1
SCHEMBL2488469 0.91 PIK3CA (0.47) ATRATRIPPIK3CAMTORPIK3R1
SCHEMBL6525675 0.91 PIK3R1 (0.43) ATRATRIPPIK3CAMTORPIK3R1
SCHEMBL22790318 0.89 ATR (0.49) 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
EP-2379530-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2011-10-26 EP disclosed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US disclosed
WO-2010073034-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2010-07-01 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-20110053923-A1 CHEMICAL COMPOUNDS 610 ABCG2, CYP3A7, CYP2C19 ATR 2253/4885ATRIP 3336/4885PIK3CA 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.