SCHEMBL15515228

SCHEMBL15515228

[CH](CCN1CCOCC1)CN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KEAP1 Q14145 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.37
DUSP3 P51452 1/20 0.37
USP2 O75604 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.34
DAO P14920 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL11270767 0.92 HRH3 (0.40) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL646005 0.88 KDM4E (0.50) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL4526651 0.87 KEAP1 (0.52) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL7226171 0.83 USP2 (0.44) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL5419101 0.82 KEAP1 (0.47) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL27160143 0.80 ALDH1A1 (0.43) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL17996882 0.79 HRH3 (0.38) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL235080 0.77 KDM4E (0.65) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL4042388 0.76 HRH3 (0.42) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL11333121 0.75 TDP1 (0.41) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892534-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-08-04 EP disclosed
US-10227357-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-03-12 US disclosed
EP-2892534-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2015-07-15 EP disclosed
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US disclosed
WO-2014039714-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-03-13 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 (2 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-10227357-B2 Compounds and methods for kinase modulation, and indications therefor KIT, PRKCH, PRKACA KDM4E 1125/4885SMN1; SMN2 2565/4885KEAP1 2938/4885
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA KDM4E 1125/4885SMN1; SMN2 2565/4885KEAP1 2938/4885

“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.