SCHEMBL248370

SCHEMBL248370

CC(C)N(C(C)C)C(C)n1cnc2c(Cl)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
ADORA1 P30542 2/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
FDPS P14324 1/20 0.40
FGFR1 P11362 3/20 0.38
FGFR4 P22455 3/20 0.38
CCNB2 O95067 5/20 0.38
CDK1 P06493 5/20 0.38
CCNB1 P14635 5/20 0.38
CCNB3 Q8WWL7 5/20 0.38
P2RX7 Q99572 1/20 0.35
CDK2 P24941 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL11596392 0.83 ADORA2A (0.49) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL2475932 0.82 ADORA2A (0.64) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL31331738 0.82 ADORA2A (0.64) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL21539218 0.79 ADORA2A (0.51) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL11258096 0.79 ADORA2A (0.47) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL11595833 0.76 ADORA2A (0.45) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL11596964 0.76 ADORA2A (0.45) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL11596855 0.76 ADORA2A (0.51) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL11596724 0.75 ADORA2A (0.50) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL21127815 0.75 ADORA2A (0.46) ADORA2AADORA2BADORA1PI4KAPI4K2B

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-2588469-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-18 US disclosed
WO-2012003271-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-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 ADORA2A 1672/4885ADORA2B 2729/4885ADORA1 4082/4885

“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.