SCHEMBL4007338

SCHEMBL4007338

Cn1cc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)cc(C4(S(=O)(=O)c5ccc(F)cc5)CC4)n3)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.57
PIK3CA P42336 9/20 0.57
PIK3CG P48736 4/20 0.50
ATR Q13535 3/20 0.48
PIK3CD O00329 2/20 0.46
HDAC3 O15379 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PIK3CB P42338 1/20 0.41

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
SCHEMBL4005656 0.92 ATR (0.56) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL3927815 0.92 MTOR (0.49) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL3938221 0.89 MTOR (0.55) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL3932094 0.89 MTOR (0.60) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL4207747 0.88 ATR (0.62) MTORPIK3CAATRPIK3CD
SCHEMBL3936091 0.87 PIK3CA (0.62) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL27794218 0.87 MTOR (0.52) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL3928555 0.86 PIK3CA (0.54) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL4196219 0.85 PIK3CA (0.55) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL4206146 0.85 ATR (0.53) MTORPIK3CAPIK3CGATRPIK3CD

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 4 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
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 2/4885PIK3CG 9/4885

“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.