SCHEMBL247209

SCHEMBL247209

Nc1cc(N2CCOCC2)ncc1-c1cncnc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.43
PIK3CA P42336 6/20 0.42
MTOR P42345 3/20 0.42
MAP3K12 Q12852 1/20 0.42
ADK P55263 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR2 P34972 3/20 0.41
P4HTM Q9NXG6 1/20 0.41
PIK3R1 P27986 1/20 0.40
KMO O15229 1/20 0.40

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
SCHEMBL248166 0.81 ATR (0.49) LRRK2PIK3CAMTORCYP2C19CNR2
SCHEMBL29745217 0.78 ALDH1A1 (0.48) PIK3CAMTORMAP3K12ADKCYP2C19
SCHEMBL15543262 0.78 ALDH1A1 (0.48) PIK3CAMTORMAP3K12ADKCYP2C19
SCHEMBL3410821 0.76 CNR2 (0.49) CNR2
SCHEMBL246130 0.76 LRRK2 (0.50) LRRK2PIK3CAMTORCYP2C19CNR2
SCHEMBL247853 0.76 ATR (0.48) LRRK2PIK3CAMTORCYP2C19
SCHEMBL246131 0.75 CYP2C19 (0.59) LRRK2PIK3CAMTORCYP2C19PIK3R1
SCHEMBL248108 0.75 PIK3CA (0.49) PIK3CAMTORCNR2PIK3R1
SCHEMBL248414 0.75 LRRK2 (0.56) LRRK2PIK3CAMTOR
SCHEMBL248275 0.75 PIK3CA (0.44) PIK3CAMTORMAP3K12CNR2

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 LRRK2 464/4885PIK3CA 28/4885MTOR 314/4885

“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.