SCHEMBL4928045

SCHEMBL4928045

CCS(=O)(=O)c1cc(Br)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GPR119 Q8TDV5 9/20 0.43
KCNH2 Q12809 2/20 0.42
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
STS P08842 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
BACE1 P56817 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4930893 0.81 LMNA (0.46) MEN1KMT2AGPR119KCNH2LMNA
SCHEMBL4929222 0.79 LMNA (0.49) MEN1KMT2AGPR119KCNH2LMNA
SCHEMBL4928630 0.79 KCNH2 (0.41) MEN1KMT2AGPR119KCNH2LMNA
SCHEMBL4923594 0.77 KCNH2 (0.40) MEN1KMT2AGPR119KCNH2LMNA
SCHEMBL4930918 0.77 LMNA (0.50) MEN1KMT2AKCNH2LMNAALDH1A1
SCHEMBL4930903 0.76 KCNH2 (0.40) MEN1KMT2AGPR119KCNH2LMNA
SCHEMBL16597110 0.74 MAPT (0.54) MEN1KMT2AGPR119LMNAALDH1A1
SCHEMBL7589851 0.73 LMNA (0.43) MEN1KMT2AGPR119KCNH2LMNA
SCHEMBL4925823 0.73 GPR119 (0.40) MEN1KMT2AGPR119KCNH2LMNA
SCHEMBL20445039 0.73 MAPT (0.44) MEN1KMT2AGPR119KCNH2LMNA

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 MEN1 2030/4885KMT2A 3849/4885GPR119 536/4885

“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.