SCHEMBL18502149

SCHEMBL18502149

Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cn(C)nc2C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 20/20 1.00
▸ PIK3CA P42336 16/20 1.00
▸ PIK3CD O00329 9/20 0.75
▸ PIK3CB P42338 8/20 0.75
▸ MTOR P42345 5/20 0.75
▸ PIK3C3 Q8NEB9 3/20 0.75

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
SCHEMBL17203630 0.92 PIK3CG (0.84) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL17203676 0.87 PIK3CG (0.78) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL17203797 0.87 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL17203712 0.86 PIK3CG (0.76) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL17204167 0.86 PIK3CG (0.76) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL17206178 0.86 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL17203979 0.85 PIK3CG (0.75) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL17203583 0.85 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL18493524 0.84 PIK3CG (0.72) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL18493567 0.84 PIK3CG (0.72) PIK3CGPIK3CAPIK3CDPIK3CBMTOR

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-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-06-26 — — US 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 18/4885PIK3CA 27/4885PIK3CD 15/4885
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP5K1B, PIP4K2B PIK3CG 18/4885PIK3CA 27/4885PIK3CD 15/4885

“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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