SCHEMBL2487547

SCHEMBL2487547

C[C@H]1COCCN1c1cc(C2(S(=O)(=O)C3CC3)CCN(C(=O)OC(C)(C)C)CC2)nc(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.47
MTOR P42345 2/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
PIK3R1 P27986 11/20 0.43
ATR Q13535 8/20 0.41
ATRIP Q8WXE1 3/20 0.41
TAF1 P21675 2/20 0.39
PRKDC P78527 1/20 0.39

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
SCHEMBL2488469 1.00 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2488472 1.00 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2489969 0.91 ATR (0.51) PIK3CAMTORPIK3R1ATRATRIP
SCHEMBL6520863 0.91 ATR (0.51) PIK3CAMTORPIK3R1ATRATRIP
SCHEMBL4210198 0.91 ATR (0.51) PIK3CAMTORPIK3R1ATRATRIP
SCHEMBL6524143 0.89 PIK3R1 (0.44) PIK3CAMTORPIK3R1ATRATRIP
SCHEMBL2492774 0.89 PIK3R1 (0.44) PIK3CAMTORPIK3R1ATRATRIP
SCHEMBL2490413 0.89 MTOR (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4196732 0.89 MTOR (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2492707 0.89 ATR (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3R1

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 7 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
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
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 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 (2 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 PIK3CA 2/4885MTOR 1/4885PIK3CD 4/4885
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ABCG2, CYP3A7, CYP2C19 PIK3CA 1564/4885MTOR 954/4885PIK3CD 2358/4885

“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.