SCHEMBL4573169

SCHEMBL4573169

FC(F)c1nc2ccccc2n1-c1cc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.81
PIK3CD O00329 14/20 0.72
PIK3CA P42336 13/20 0.72
PIK3CG P48736 12/20 0.72
PIK3R1 P27986 4/20 0.72
PIK3C2B O00750 1/20 0.72
MTOR P42345 1/20 0.72

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
SCHEMBL29434923 1.00 PIK3CB (0.81) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL948460 0.92 PIK3CB (0.85) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029486 0.87 PIK3CB (0.83) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029493 0.86 PIK3CB (0.81) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL29434920 0.84 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4730034 0.84 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4588794 0.84 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL29434924 0.84 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4585104 0.84 PDCD1 (0.62) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
Zstk-474 SCHEMBL373282 0.84 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810100-B Benzofuran-containing PARP-1 and PI3K dual-target inhibitors 中国药科大学 2022-03-11 CN disclosed
EP-2604601-B1 HETERO RING COMPOUND ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
EP-2604601-A1 HETERO RING COMPOUND Astellas Pharma Inc. (JP) 2013-06-19 EP disclosed
US-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 US disclosed
US-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 US disclosed
WO-2008032027-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032036-A1 6-BENZIMIDAZ0LYL-2-M0RPH0LIN0-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032089-A1 4-BENZIMIDAZ0LYL-2-M0RPH0LIN0-6-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032033-A1 4-BENZIMIDAZOLYL-2-MORPHOLINO-6-PIPERAZINYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 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-20130150364-A1 HETEROCYCLIC COMPOUND IL2, NFATC1, ICOS PIK3CB 16/4885PIK3CD 6/4885PIK3CA 28/4885

“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.