SCHEMBL11900537

SCHEMBL11900537

C[C@@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2n1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.67
PIK3CG P48736 13/20 0.67
PIK3R1 P27986 12/20 0.67
PIK3CB P42338 12/20 0.67
PIK3CA P42336 10/20 0.67
PIK3C3 Q8NEB9 1/20 0.59

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
SCHEMBL11901733 1.00 PIK3CD (0.67) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901736 1.00 PIK3CD (0.67) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901928 0.94 PIK3CD (0.66) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2509342 0.94 PIK3CD (0.68) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2510275 0.94 PIK3CD (0.68) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2512023 0.94 PIK3CD (0.68) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901275 0.92 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL12682811 0.92 PIK3CD (0.63) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11902233 0.92 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11902011 0.92 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA

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 10/4885PIK3R1 20/4885

“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.