SCHEMBL3929657

SCHEMBL3929657

CNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)cc(C3(S(=O)(=O)C4CC4)CC3)n2)cn1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.62
PIK3CA P42336 6/20 0.62
PIK3CD O00329 4/20 0.62
PIK3CB P42338 1/20 0.62
PIK3CG P48736 1/20 0.62
ATR Q13535 14/20 0.49
ATRIP Q8WXE1 5/20 0.49
CHEK1 O14757 3/20 0.49
PDCD1 Q15116 3/20 0.49
CD274 Q9NZQ7 3/20 0.49
TAF1 P21675 3/20 0.47
PRKDC P78527 2/20 0.47
KCNH2 Q12809 2/20 0.46
PIK3R1 P27986 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL18013708 0.92 MTOR (0.61) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3929603 0.92 MTOR (0.61) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3930083 0.91 MTOR (0.60) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3931643 0.90 PIK3CA (0.72) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3927217 0.90 PIK3CA (0.73) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3929181 0.89 PIK3CA (0.59) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL18013707 0.89 PIK3CA (0.59) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3926459 0.89 PIK3CA (0.62) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4210112 0.88 ATR (0.54) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3926797 0.88 PIK3CA (0.71) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP 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 (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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 MTOR 1/4885PIK3CA 2/4885PIK3CD 4/4885

“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.