SCHEMBL3602281

SCHEMBL3602281

CCNC(=O)NC1CCN(c2nc(CS(C)(=O)=O)cc(N3CCOC[C@@H]3C)n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.62
PIK3CD O00329 6/20 0.62
MTOR P42345 11/20 0.52
CHEK1 O14757 2/20 0.46
ATR Q13535 2/20 0.46
PDCD1 Q15116 2/20 0.46
ATRIP Q8WXE1 2/20 0.46
CD274 Q9NZQ7 2/20 0.46
RPTOR Q8N122 3/20 0.41
MLST8 Q9BVC4 3/20 0.41
CYP3A4 P08684 2/20 0.41
HTR1A P08908 1/20 0.39
GABRA1 P14867 1/20 0.39
NUDT1 P36639 1/20 0.39
KCNH2 Q12809 1/20 0.39
RICTOR Q6R327 1/20 0.39
MAPKAP1 Q9BPZ7 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
SCHEMBL3605180 0.91 PIK3CA (0.53) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3601487 0.90 PIK3CA (0.53) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL13257107 0.86 PIK3CA (0.49) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3610926 0.85 PIK3CA (0.65) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3598929 0.84 PIK3CA (0.51) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3095567 0.82 PIK3CA (0.60) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3598799 0.82 PIK3CA (0.55) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL11898434 0.82 PIK3CA (0.55) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3609460 0.79 PIK3CA (0.66) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3597306 0.79 PIK3CA (0.53) PIK3CAPIK3CDMTORCHEK1ATR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP claimed
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US 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-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR PIK3CA 20/4885PIK3CD 19/4885MTOR 3/4885

“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.