SCHEMBL3076498

SCHEMBL3076498

C[C@H]1COCCN1c1cc(C(C)(C)S(C)(=O)=O)nc(-c2ccc3[nH]ccc3c2)n1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 9/20 0.71
▸ MTOR P42345 8/20 0.71
▸ PIK3CD O00329 4/20 0.68
▸ ATR Q13535 12/20 0.60
▸ ATRIP Q8WXE1 8/20 0.60
▸ PDCD1 Q15116 4/20 0.54
▸ CD274 Q9NZQ7 4/20 0.54
▸ CYP2C9 P11712 1/20 0.51
▸ CHEK1 O14757 3/20 0.50
▸ TAF1 P21675 1/20 0.48
▸ PIK3R1 P27986 1/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL3084681 0.94 PIK3CA (0.69) PIK3CAMTORPIK3CDATRATRIP
SCHEMBL3091820 0.86 PIK3CA (0.66) PIK3CAMTORPIK3CDATRATRIP
SCHEMBL3085363 0.86 PIK3CA (0.63) PIK3CAMTORPIK3CDATRATRIP
SCHEMBL3090335 0.83 ATR (0.77) PIK3CAMTORPIK3CDATRATRIP
SCHEMBL738650 0.83 PIK3CA (0.72) PIK3CAMTORPIK3CDATRATRIP
SCHEMBL3095615 0.83 PIK3CA (1.00) PIK3CAMTORPIK3CDATRATRIP
SCHEMBL3083758 0.83 PIK3CA (1.00) PIK3CAMTORPIK3CDATRATRIP
SCHEMBL3081702 0.81 PIK3CA (0.79) PIK3CAMTORPIK3CDATRATRIP
SCHEMBL3076035 0.80 PIK3CA (0.85) PIK3CAMTORPIK3CDATRATRIP
SCHEMBL3605555 0.80 PDCD1 (0.71) PIK3CAMTORPIK3CDATRATRIP

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
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

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.

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