SCHEMBL2492707

SCHEMBL2492707

CC(C)(C)OC(=O)N1CCC(c2cc(N3CCOCC3)nc(Cl)n2)(S(=O)(=O)C2CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.43
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CA P42336 5/20 0.40
AKT1 P31749 1/20 0.40
MTOR P42345 1/20 0.40
GPR119 Q8TDV5 7/20 0.40
RECQL P46063 1/20 0.40
PIK3R1 P27986 2/20 0.39
TGFBR1 P36897 1/20 0.39
STS P08842 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38

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
SCHEMBL2490833 0.90 ATR (0.50) ATRPIK3CAMTOR
SCHEMBL2488472 0.89 PIK3CA (0.47) ATRPIK3CAMTORPIK3R1PIK3CD
SCHEMBL2488469 0.89 PIK3CA (0.47) ATRPIK3CAMTORPIK3R1PIK3CD
SCHEMBL2487547 0.89 PIK3CA (0.47) ATRPIK3CAMTORPIK3R1PIK3CD
SCHEMBL2492100 0.84 ATR (0.55) ATRPIK3CAMTOR
SCHEMBL2489883 0.83 ATR (0.52) ATRPIK3CAMTOR
SCHEMBL3926843 0.82 ATR (0.51) ATRPIK3CAMTOR
SCHEMBL3929824 0.82 ATR (0.51) ATRPIK3CAMTOR
SCHEMBL24851269 0.80 USP2 (0.54) USP2SMN1; SMN2PIK3CAMTORGPR119
SCHEMBL6520863 0.79 ATR (0.51) ATRPIK3CAMTORPIK3R1

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 2253/4885USP2 4773/4885SMN1; SMN2 3351/4885

“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.