SCHEMBL18502154

SCHEMBL18502154

Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](O)CC2)cc1-c1cnc(N)c(-c2cnn(C)c2)n1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 19/20 0.74
▸ PIK3CD O00329 18/20 0.74
▸ PIK3CB P42338 17/20 0.74
▸ MTOR P42345 9/20 0.74
▸ PIK3C3 Q8NEB9 5/20 0.74
▸ PIK3CA P42336 5/20 0.70
▸ PIK3R2 O00459 1/20 0.56
▸ PIK3R1 P27986 1/20 0.56
▸ PIK3R3 Q92569 1/20 0.56

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
SCHEMBL17204058 1.00 PIK3CG (0.74) PIK3CGPIK3CDPIK3CBMTORPIK3C3
SCHEMBL18493554 1.00 PIK3CG (0.74) PIK3CGPIK3CDPIK3CBMTORPIK3C3
SCHEMBL17203782 0.88 PIK3CG (0.70) PIK3CGPIK3CDPIK3CBMTORPIK3C3
SCHEMBL18507177 0.87 PIK3CG (0.69) PIK3CGPIK3CDPIK3CBMTORPIK3C3
SCHEMBL18507255 0.87 PIK3CG (0.69) PIK3CGPIK3CDPIK3CBMTORPIK3C3
SCHEMBL18507178 0.87 PIK3CG (0.69) PIK3CGPIK3CDPIK3CBMTORPIK3C3
SCHEMBL17203807 0.87 PIK3CG (0.73) PIK3CGPIK3CDPIK3CBMTORPIK3C3
SCHEMBL17203624 0.87 PIK3CG (0.73) PIK3CGPIK3CDPIK3CBMTORPIK3C3
SCHEMBL17206096 0.87 PIK3CG (0.73) PIK3CGPIK3CDPIK3CBMTORPIK3C3
SCHEMBL17205743 0.87 PIK3CG (0.73) PIK3CGPIK3CDPIK3CBMTORPIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458979-B Aminopyrazine derivatives as phosphatidylinositol 3-kinase inhibitors 诺华股份有限公司 2020-03-27 — — CN claimed
CN-106458979-B Aminopyrazine derivatives as phosphatidylinositol 3-kinase inhibitors 诺华股份有限公司 2020-03-27 — — CN disclosed
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-06-26 — — US disclosed
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-16 — — US disclosed
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-16 — — US 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 (2 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-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B PIK3CG 18/4885PIK3CD 15/4885PIK3CB 13/4885
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP5K1B, PIP4K2B PIK3CG 18/4885PIK3CD 15/4885PIK3CB 13/4885

“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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