SCHEMBL11900517

SCHEMBL11900517

COC[C@H](N)c1nc2ccc(F)cc2n1-c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.52
PIK3R1 P27986 7/20 0.52
PIK3CB P42338 7/20 0.52
PIK3CG P48736 7/20 0.52
PIK3CA P42336 6/20 0.52
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DRD4 P21917 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
MAPK14 Q16539 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34

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
SCHEMBL12472905 1.00 PIK3CD (0.52) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL11901798 0.88 PIK3CD (0.54) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL12472856 0.88 PIK3CD (0.54) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL11901724 0.86 PIK3CD (0.47) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL11900918 0.84 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL12473021 0.84 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL2506882 0.84 PIK3CD (0.59) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL11900852 0.84 PIK3CD (0.59) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
Hydrochloric Acid SCHEMBL12473211 0.83 PIK3CD (0.58) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL11900830 0.83 PIK3CD (0.46) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885PIK3R1 20/4885PIK3CB 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.