SCHEMBL4929093

SCHEMBL4929093

CC(C)(C)OC(=O)N1CCN(c2cccc(Cl)c2)C(C(=O)NCCN2CCOCC2)C1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
USP30 Q70CQ3 1/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
UTS2R Q9UKP6 1/20 0.44
THRB P10828 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4928657 0.78 NR1H2 (0.48) USP30TP53MAPTALDH1A1
SCHEMBL4930885 0.78 STS (0.47) USP30TP53MAPT
SCHEMBL14307916 0.77 STS (0.47) USP30TP53MAPT
Hydrochloric Acid SCHEMBL4934601 0.77 LMNA (0.48) LMNATP53MAPTALDH1A1
SCHEMBL23784876 0.75 MAPT (0.51) LMNAUSP30TP53MAPTTHRB
SCHEMBL21326453 0.75 MAPT (0.51) LMNAUSP30TP53MAPTTHRB
SCHEMBL23784974 0.75 MAPT (0.51) LMNAUSP30TP53MAPTTHRB
SCHEMBL1791297 0.72 TP53 (0.43) LMNATP53MAPTUSP2ALDH1A1
SCHEMBL5395893 0.72 TP53 (0.44) TP53MAPT
SCHEMBL15352207 0.72 RECQL (0.61) LMNAMAPTTHRBUSP2ALDH1A1

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 LMNA 2304/4885USP30 3096/4885TP53 740/4885

“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.