SCHEMBL4933535

SCHEMBL4933535

COc1c(C(=O)NCCN(C)C)cc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
TP53 P04637 3/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DRD3 P35462 3/20 0.42
DRD2 P14416 1/20 0.41
SUV39H2 Q9H5I1 1/20 0.41
UTS2R Q9UKP6 2/20 0.40
LMNA P02545 2/20 0.40
STS P08842 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
SCHEMBL4928575 0.82 MAPK1 (0.46) MAPTMAPK1HSD17B10SMN1; SMN2HTT
SCHEMBL4927499 0.81 MAPT (0.42) MAPTSMN1; SMN2HTTNPSR1SUV39H2
SCHEMBL4933219 0.81 MEN1 (0.44) MAPTMAPK1HSD17B10NPSR1SUV39H2
SCHEMBL20521386 0.79 SCN9A (0.43) MAPTTP53MAPK1SMN1; SMN2HTT
SCHEMBL4930750 0.78 SUV39H2 (0.47) MAPTSMN1; SMN2HTTNPSR1SUV39H2
SCHEMBL4929891 0.77 RPS6KB1 (0.50) MAPTSMN1; SMN2HTTNPSR1SUV39H2
SCHEMBL4931500 0.73 MEN1 (0.44) MAPTSMN1; SMN2HTTNPSR1SUV39H2
SCHEMBL4933788 0.71 RPS6KB1 (0.50) MAPTMAPK1SMN1; SMN2HTTNPSR1
SCHEMBL21157517 0.69 BACE1 (0.50) SMN1; SMN2HTTNPSR1DRD2LMNA
SCHEMBL4925961 0.69 MAPT (0.42) MAPTSMN1; SMN2HTTNPSR1LMNA

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 MAPT 4051/4885TP53 740/4885MAPK1 34/4885

“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.