SCHEMBL4922239

SCHEMBL4922239

Cc1c(NCCN2CCCC2)cc(C(=O)OCc2ccccc2)cc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 4/20 0.46
AKT1 P31749 4/20 0.46
SLC2A1 P11166 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 2/20 0.41
ACKR3 P25106 3/20 0.41
GPR119 Q8TDV5 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAPT P10636 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
SCHEMBL4928932 0.87 RPS6KB1 (0.57) RPS6KB1AKT1ALDH1A1ACKR3MEN1
SCHEMBL4931408 0.86 RPS6KB1 (0.48) RPS6KB1AKT1ACHEACKR3MEN1
SCHEMBL4930797 0.85 RPS6KB1 (0.60) RPS6KB1AKT1ALDH1A1BACE1ACKR3
SCHEMBL4933103 0.82 RPS6KB1 (0.44) RPS6KB1AKT1ACKR3CD274
SCHEMBL4923212 0.81 RPS6KB1 (0.49) RPS6KB1AKT1ACKR3MEN1KMT2A
SCHEMBL4930003 0.81 GPR119 (0.45) SLC2A1ACHEBACE1GPR119MEN1
SCHEMBL4923739 0.80 RPS6KB1 (0.46) RPS6KB1AKT1ACKR3GPR119MEN1
SCHEMBL4930470 0.80 RPS6KB1 (0.51) RPS6KB1AKT1ACKR3MEN1KMT2A
SCHEMBL4930131 0.79 RPS6KB1 (0.47) RPS6KB1AKT1ALDH1A1ACKR3MEN1
SCHEMBL4925752 0.78 RPS6KB1 (0.56) RPS6KB1AKT1SLC2A1ACKR3MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 RPS6KB1 13/4885AKT1 6/4885SLC2A1 587/4885

“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.