SCHEMBL247385

SCHEMBL247385

COC[C@@H]1CCCN1c1nc2cc(F)cc(F)c2c(Nc2cc(N3CCOCC3)ncc2-c2cncnc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
ADORA2A P29274 10/20 0.35
PIK3CA P42336 7/20 0.34
GPR6 P46095 1/20 0.34
ADORA1 P30542 6/20 0.33
CYP1A2 P05177 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL247584 1.00 PIK3CD (0.38) PIK3CDADORA2APIK3CAGPR6ADORA1
SCHEMBL252863 0.86 PIK3CD (0.41) PIK3CDPIK3CA
SCHEMBL245631 0.86 PIK3CD (0.40) PIK3CDPIK3CAGPR6
SCHEMBL247517 0.86 PIK3CD (0.40) PIK3CDPIK3CAGPR6
SCHEMBL246190 0.84 ATR (0.38) PIK3CDPIK3CAGPR6
SCHEMBL247892 0.84 ATR (0.38) PIK3CDPIK3CAGPR6
SCHEMBL248910 0.80 PIK3CA (0.51) PIK3CDPIK3CA
SCHEMBL247889 0.80 PIK3CA (0.49) PIK3CDPIK3CA
SCHEMBL14839991 0.80 PIK3CD (0.41) PIK3CDPIK3CA
SCHEMBL248451 0.80 PIK3CA (0.51) PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CD 24/4885ADORA2A 1268/4885PIK3CA 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.