SCHEMBL3050571

SCHEMBL3050571

CC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc(N3CCOC[C@@H]3C)n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.81
PIK3CD O00329 9/20 0.81
MTOR P42345 8/20 0.79
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52
CHEK1 O14757 1/20 0.50
ATR Q13535 1/20 0.50
PDCD1 Q15116 1/20 0.50
ATRIP Q8WXE1 1/20 0.50
CD274 Q9NZQ7 1/20 0.50

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
SCHEMBL738142 0.93 PIK3CA (0.81) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL13257213 0.92 PIK3CA (0.80) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3602511 0.91 PIK3CA (0.84) PIK3CAPIK3CDMTOR
SCHEMBL3061124 0.91 PIK3CA (0.84) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3609649 0.90 PIK3CA (0.77) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3609185 0.90 PIK3CA (0.83) PIK3CAPIK3CDMTOR
SCHEMBL3601945 0.90 PIK3CA (0.77) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3592690 0.90 PIK3CA (0.77) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3054612 0.90 PIK3CA (0.75) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3602937 0.90 PIK3CA (0.81) PIK3CAPIK3CDMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261723-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-10-14 US claimed
EP-2178866-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-28 EP claimed
WO-2009007749-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO claimed
US-20100261723-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100261723-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100261723-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-10-14 US disclosed
EP-2178866-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-28 EP disclosed
WO-2009007749-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
WO-2009007749-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-20100261723-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, TYMP PIK3CA 2/4885PIK3CD 4/4885MTOR 1/4885

“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.