SCHEMBL3085363

SCHEMBL3085363

C[C@H]1COCCN1c1cc(C(C)(C)S(C)(=O)=O)nc(-c2cnc3[nH]ccc3c2)n1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 7/20 0.63
▸ PIK3CD O00329 4/20 0.63
▸ MTOR P42345 7/20 0.53
▸ ATR Q13535 12/20 0.52
▸ PDCD1 Q15116 10/20 0.51
▸ CD274 Q9NZQ7 10/20 0.51
▸ ATRIP Q8WXE1 9/20 0.51
▸ CHEK1 O14757 8/20 0.51

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
SCHEMBL3076498 0.86 PIK3CA (0.71) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3084681 0.85 PIK3CA (0.69) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3083266 0.83 MTOR (0.76) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3588507 0.83 ATR (0.69) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3605555 0.82 PDCD1 (0.71) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3081948 0.80 MTOR (0.61) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL738650 0.80 PIK3CA (0.72) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3091820 0.79 PIK3CA (0.66) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3593059 0.79 PIK3CA (0.65) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3605074 0.78 PIK3CA (0.67) PIK3CAPIK3CDMTORATRPDCD1

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 PIK3CA 2/4885PIK3CD 3/4885MTOR 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.

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