SCHEMBL3077782

SCHEMBL3077782

C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(Nc2cc[nH]n2)n1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.56
PIK3CA P42336 7/20 0.56
PIK3CD O00329 3/20 0.54
ATR Q13535 12/20 0.47
ATRIP Q8WXE1 11/20 0.47
PDCD1 Q15116 10/20 0.41
CD274 Q9NZQ7 10/20 0.41
CHEK1 O14757 8/20 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
SCHEMBL27791257 0.76 ATR (0.40) MTORATRATRIPPDCD1CD274
SCHEMBL2487510 0.76 PIK3CA (0.62) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL2487507 0.76 PIK3CA (0.62) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL738140 0.76 PIK3CA (0.62) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL3976240 0.75 PIK3CA (0.62) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL22926536 0.75 ATR (0.46) MTORATRATRIPPDCD1CD274
SCHEMBL3095567 0.74 PIK3CA (0.60) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL739897 0.73 PIK3CA (0.72) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL3051750 0.72 PIK3CA (0.77) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL3082131 0.72 PIK3CA (0.88) MTORPIK3CAPIK3CDATRATRIP

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-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US claimed
EP-2176256-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-21 EP claimed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO claimed
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
EP-2176256-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-21 EP disclosed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
WO-2009007751-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-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD MTOR 1/4885PIK3CA 2/4885PIK3CD 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.