SCHEMBL248680

SCHEMBL248680

Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.47
LRRK2 Q5S007 5/20 0.41
PIK3CD O00329 1/20 0.39
MST1 P26927 1/20 0.38
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
STK26 Q9P289 1/20 0.38
USP2 O75604 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
SOS1 Q07889 1/20 0.37
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL245537 0.98 PIK3CA (0.46) PIK3CALRRK2PIK3CDMST1STK4
SCHEMBL247566 0.87 PIK3CA (0.46) PIK3CAPIK3CDUSP2TSHRCYP1A2
SCHEMBL246539 0.87 PIK3CA (0.51) PIK3CAPIK3CD
SCHEMBL248451 0.87 PIK3CA (0.51) PIK3CAPIK3CD
SCHEMBL249015 0.85 PIK3CA (0.51) PIK3CAPIK3CD
SCHEMBL248910 0.85 PIK3CA (0.51) PIK3CAPIK3CD
SCHEMBL245514 0.85 PIK3CA (0.48) PIK3CAPIK3CD
SCHEMBL246549 0.84 PIK3CA (0.47) PIK3CALRRK2PIK3CD
SCHEMBL247272 0.84 PIK3CA (0.48) PIK3CAPIK3CD
SCHEMBL248778 0.84 PIK3CA (0.47) PIK3CAPIK3CDSOS1

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 PIK3CA 28/4885LRRK2 464/4885PIK3CD 24/4885

“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.