SCHEMBL114470

SCHEMBL114470

Fc1ccc(CN2CCSCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL20037810 0.80 POLB (0.57) KDM4EALDH1A1POLBL3MBTL1
SCHEMBL5254492 0.80 KDM4E (0.62) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL115530 0.80 DRD2 (0.56) ALDH1A1DRD2DRD4DRD3CYP11B1
SCHEMBL3116168 0.75 MEN1 (0.53) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL13374345 0.74 MGAT2 (0.46) KMT2ADRD2DRD4DRD3CYP11B1
SCHEMBL26351798 0.74 POLB (0.50) KDM4EALDH1A1POLB
SCHEMBL14931770 0.72 CHRNA7 (0.70) KDM4EMEN1KMT2ADRD2DRD4
SCHEMBL1427316 0.71 HRH3 (0.66) KDM4EALDH1A1
SCHEMBL5040661 0.71 CHRNA7 (0.54) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL115750 0.71 MEN1 (0.49) KDM4EALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD KDM4E 1916/4885ALDH1A1 4256/4885POLB 3114/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD KDM4E 1916/4885ALDH1A1 4256/4885POLB 3114/4885

“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.