SCHEMBL4926656

SCHEMBL4926656

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
STS P08842 3/20 0.47
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TSHR P16473 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL4926712 0.87 MEN1 (0.48) MEN1KMT2ASTSMAPTALDH1A1
SCHEMBL5577193 0.82 USP2 (0.45) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL23784871 0.80 MAPT (0.57) MEN1KMT2ASTSMAPTALDH1A1
SCHEMBL29086746 0.80 MEN1 (0.53) MEN1KMT2ASTSMAPTALDH1A1
SCHEMBL2365793 0.80 MEN1 (0.58) MEN1KMT2ASTSMAPTALDH1A1
SCHEMBL30208133 0.80 MEN1 (0.58) MEN1KMT2ASTSMAPTALDH1A1
SCHEMBL4928777 0.79 MEN1 (0.41) MEN1KMT2ASTSMAPTALDH1A1
SCHEMBL2366297 0.78 GPR119 (0.52) MEN1KMT2ASTSMAPTALDH1A1
SCHEMBL4927812 0.78 MEN1 (0.41) MEN1KMT2ASTSMAPTALDH1A1
SCHEMBL21995736 0.78 MEN1 (0.50) MEN1KMT2ASTSMAPTALDH1A1

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 3849/4885STS 3745/4885

“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.