SCHEMBL4925752

SCHEMBL4925752

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 9/20 0.56
AKT1 P31749 9/20 0.56
ACKR3 P25106 2/20 0.40
KMT5A Q9NQR1 1/20 0.39
TP53 P04637 2/20 0.38
TLR8 Q9NR97 1/20 0.38
SLC2A1 P11166 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL4930131 0.86 RPS6KB1 (0.47) RPS6KB1AKT1ACKR3KMT5ATP53
SCHEMBL4933103 0.85 RPS6KB1 (0.44) RPS6KB1AKT1ACKR3KMT5ATP53
SCHEMBL4930470 0.85 RPS6KB1 (0.51) RPS6KB1AKT1ACKR3KMT5ATP53
SCHEMBL4931408 0.84 RPS6KB1 (0.48) RPS6KB1AKT1ACKR3KMT5ATP53
SCHEMBL4928932 0.83 RPS6KB1 (0.57) RPS6KB1AKT1ACKR3KMT5ATP53
SCHEMBL4923354 0.81 ACKR3 (0.42) RPS6KB1AKT1ACKR3KMT5ATP53
Hydrochloric Acid SCHEMBL4931630 0.81 RPS6KB1 (0.62) RPS6KB1AKT1
SCHEMBL4944061 0.81 RPS6KB1 (0.42) RPS6KB1AKT1ACKR3KMT5ATP53
SCHEMBL4930420 0.81 RPS6KB1 (0.41) RPS6KB1AKT1ACKR3KMT5ATP53
SCHEMBL4923212 0.81 RPS6KB1 (0.49) RPS6KB1AKT1ACKR3KMT5ATP53

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 6/4885ACKR3 596/4885

“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.