SCHEMBL246131

SCHEMBL246131

COc1cc(N)c(-c2cnc(N3CCOCC3)cc2N)cn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.59
PIK3CA P42336 9/20 0.45
MTOR P42345 6/20 0.45
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LRRK2 Q5S007 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3R1 P27986 1/20 0.40
ALK Q9UM73 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL246130 0.86 LRRK2 (0.50) CYP2C19PIK3CAMTORPDE10ALRRK2
SCHEMBL246984 0.85 CYP2C19 (0.52) CYP2C19PIK3CAMTORPDE10ALRRK2
SCHEMBL248167 0.81 PIK3CA (0.46) CYP2C19PIK3CAMTORALDH1A1CYP1A2
SCHEMBL5564075 0.80 CYP2C19 (0.54) CYP2C19PIK3CAMTORALDH1A1CYP1A2
SCHEMBL248166 0.79 ATR (0.49) CYP2C19PIK3CAMTORPDE10ALRRK2
SCHEMBL24921465 0.76 CYP2C19 (0.59) CYP2C19ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL246958 0.76 ALK (0.49) PIK3CAMTORPDE10ALRRK2ALK
SCHEMBL15543262 0.76 ALDH1A1 (0.48) CYP2C19PIK3CAMTORALDH1A1CYP1A2
SCHEMBL29745217 0.76 ALDH1A1 (0.48) CYP2C19PIK3CAMTORALDH1A1CYP1A2
SCHEMBL24920399 0.75 CYP2C19 (1.00) CYP2C19ALDH1A1CYP1A2CYP2C9PDE10A

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 3 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
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 CYP2C19 1555/4885PIK3CA 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.