SCHEMBL248192

SCHEMBL248192

COc1cncc(-c2cnc(C3CCOCC3)cc2N)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
CACNA1B Q00975 1/20 0.35
PIK3CA P42336 4/20 0.34
MTOR P42345 1/20 0.34
MAP4K1 Q92918 2/20 0.33
IL2 P60568 1/20 0.33
GCK P35557 2/20 0.33
GAK O14976 1/20 0.33
CASP3 P42574 1/20 0.32
CDK9 P50750 1/20 0.32
CASP7 P55210 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
ATR Q13535 1/20 0.32
MAP3K12 Q12852 1/20 0.31
ACVR1 Q04771 2/20 0.31
TGFBR1 P36897 1/20 0.31
CHEK1 O14757 1/20 0.30
ACVR2A P27037 1/20 0.30
TGFBR2 P37173 1/20 0.30

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
SCHEMBL5558929 0.81 LRRK2 (0.45) LRRK2CACNA1BPIK3CAMTORMAP4K1
SCHEMBL248191 0.79 ZAP70 (0.42) GCKATR
SCHEMBL248167 0.76 PIK3CA (0.46) LRRK2PIK3CAMTORMAP4K1GAK
SCHEMBL248529 0.74 GCK (0.40) PIK3CAMTORGCKCDK9
SCHEMBL248398 0.72 DHFR (0.37) P2RX3P2RX2ATRACVR1TGFBR1
SCHEMBL249137 0.69 PDE10A (0.42) LRRK2PIK3CAMTORMAP4K1MAP3K12
SCHEMBL5559601 0.68 MAP3K12 (0.38) LRRK2PIK3CAMTORMAP3K12
SCHEMBL14638686 0.67 ALDH1A1 (0.38) LRRK2
SCHEMBL5564246 0.65 P2RX3 (0.40) LRRK2CACNA1BPIK3CAMTORMAP4K1
SCHEMBL15202728 0.64 PDGFRB (0.43)

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 LRRK2 464/4885CACNA1B 4652/4885PIK3CA 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.