SCHEMBL4930893

SCHEMBL4930893

Cc1c(Br)cc(O)cc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
PBRM1 Q86U86 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KCNH2 Q12809 2/20 0.44
ESR2 Q92731 1/20 0.42
BACE1 P56817 2/20 0.42
GPR119 Q8TDV5 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 1/20 0.40
USP2 O75604 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40

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
SCHEMBL4929222 0.85 LMNA (0.49) LMNASMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL4930918 0.83 LMNA (0.50) LMNASMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL4928630 0.82 KCNH2 (0.41) LMNAALDH1A1MAPTKCNH2GPR119
SCHEMBL4928045 0.81 MEN1 (0.44) LMNAALDH1A1MAPTKCNH2BACE1
SCHEMBL16597110 0.80 MAPT (0.54) LMNASMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL4923594 0.78 KCNH2 (0.40) LMNASMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL5683429 0.77 MAPT (0.57) LMNASMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL4930903 0.77 KCNH2 (0.40) LMNAALDH1A1MAPTKCNH2BACE1
SCHEMBL4930003 0.77 GPR119 (0.45) LMNASMARCA2SMARCA4PBRM1MAPT
SCHEMBL31623056 0.77 HTT (0.44) LMNASMARCA2SMARCA4PBRM1ALDH1A1

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 2304/4885SMARCA2 3234/4885SMARCA4 3080/4885

“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.