SCHEMBL2487286

SCHEMBL2487286

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.55
PIK3CA P42336 4/20 0.55
PIK3CD O00329 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
ATR Q13535 19/20 0.52
ATRIP Q8WXE1 4/20 0.52
KCNH2 Q12809 4/20 0.48
TAF1 P21675 3/20 0.48
PRKDC P78527 2/20 0.48
PIK3R1 P27986 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL6519860 1.00 MTOR (0.55) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4203478 1.00 MTOR (0.55) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3926547 0.98 MTOR (0.54) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2489934 0.97 MTOR (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2489931 0.97 MTOR (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2491087 0.97 MTOR (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4197772 0.96 MTOR (0.52) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4202183 0.96 MTOR (0.52) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4206955 0.96 MTOR (0.52) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4363472 0.96 MTOR (0.52) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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 MTOR 954/4885PIK3CA 1564/4885PIK3CD 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.