SCHEMBL4933788

SCHEMBL4933788

Cc1c(OCCN(C)C)cc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.50
SUV39H2 Q9H5I1 2/20 0.45
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.41
STS P08842 3/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMPD3 Q9NY59 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
TLR9 Q9NR96 1/20 0.38
IDE P14735 1/20 0.37

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
SCHEMBL4929114 0.84 RPS6KB1 (0.51) RPS6KB1SUV39H2KDM4EMAPTMEN1
SCHEMBL5577203 0.82 RPS6KB1 (0.55) RPS6KB1KDM4EGAAMAPK1MAPT
SCHEMBL4929891 0.80 RPS6KB1 (0.50) RPS6KB1SUV39H2MAPTSTSMEN1
SCHEMBL5577200 0.79 MAPT (0.39) RPS6KB1KDM4EMAPTSTSMEN1
SCHEMBL15703606 0.78 LMNA (0.44) SUV39H2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4926712 0.77 MEN1 (0.48) GAAMAPTSTSMEN1KMT2A
SCHEMBL4926656 0.77 MEN1 (0.48) MAPTSTSMEN1KMT2ASMN1; SMN2
SCHEMBL4925961 0.76 MAPT (0.42) MAPTSTSMEN1KMT2ASMN1; SMN2
SCHEMBL4721068 0.73 MAPT (0.55) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL4926376 0.73 RPS6KB1 (0.50) RPS6KB1MAPTSTSMEN1KMT2A

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 13/4885SUV39H2 4163/4885KDM4E 1558/4885

“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.