SCHEMBL11901976

SCHEMBL11901976

CC(Nc1ncnc2[nH]cnc12)c1nc2ccc(F)c(C(=O)N(C)C)c2n1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 16/20 0.47
▸ PIK3CG P48736 10/20 0.47
▸ PIK3CB P42338 9/20 0.47
▸ PIK3R1 P27986 8/20 0.47
▸ PIK3CA P42336 6/20 0.47
▸ PIK3C3 Q8NEB9 1/20 0.47
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL11901940 0.92 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL11902197 0.89 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL11901137 0.86 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL11901410 0.85 PIK3CD (0.44) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL11901094 0.85 PIK3CD (0.44) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL11964400 0.85 PIK3CD (0.44) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL11901060 0.85 PIK3CD (0.44) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL12682973 0.85 PIK3CD (0.50) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL11902074 0.85 PIK3CD (0.50) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL11900722 0.84 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 — — EP claimed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — WO claimed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 — — US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 — — US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 — — US disclosed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 — — EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — WO disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — 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 (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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 PIK3CD 2/4885PIK3CG 10/4885PIK3CB 6/4885

“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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