SCHEMBL3077757

SCHEMBL3077757

C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(-c2ccc3[nH]c(C(=O)O)cc3c2)n1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.72
MTOR P42345 11/20 0.72
PIK3CD O00329 4/20 0.65
ATR Q13535 7/20 0.53
CYP2C9 P11712 1/20 0.53
PDCD1 Q15116 5/20 0.46
ATRIP Q8WXE1 5/20 0.46
CD274 Q9NZQ7 5/20 0.46
CHEK1 O14757 4/20 0.46

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
SCHEMBL3077798 0.93 PIK3CA (0.69) PIK3CAMTORPIK3CDATRCYP2C9
SCHEMBL3071996 0.93 PIK3CA (0.71) PIK3CAMTORPIK3CDATRCYP2C9
SCHEMBL3083138 0.90 PIK3CA (0.67) PIK3CAMTORPIK3CDATRCYP2C9
SCHEMBL3077001 0.86 PIK3CA (0.68) PIK3CAMTORPIK3CDATRCYP2C9
SCHEMBL3093063 0.84 PIK3CA (0.71) PIK3CAMTORPIK3CDATRCYP2C9
SCHEMBL3083758 0.84 PIK3CA (1.00) PIK3CAMTORPIK3CDATRCYP2C9
SCHEMBL3095615 0.84 PIK3CA (1.00) PIK3CAMTORPIK3CDATRCYP2C9
SCHEMBL3086525 0.83 PIK3CA (0.64) PIK3CAMTORPIK3CDATRCYP2C9
SCHEMBL3082131 0.81 PIK3CA (0.88) PIK3CAMTORPIK3CDATRCYP2C9
SCHEMBL739897 0.80 PIK3CA (0.72) PIK3CAMTORPIK3CDATRCYP2C9

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
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
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 PIK3CA 2/4885MTOR 1/4885PIK3CD 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.