SCHEMBL16832467

SCHEMBL16832467

COC(=O)c1ccc(Cn2nc(C)c(N)c2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.61
GFER P55789 1/20 0.61
RAB9A P51151 1/20 0.60
SLC2A1 P11166 1/20 0.59
KDM4E B2RXH2 1/20 0.58
FAAH O00519 1/20 0.56
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
MEN1 O00255 4/20 0.50
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49

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
SCHEMBL19951198 0.85 ABHD6 (0.60) GAAGFERRAB9ASLC2A1KDM4E
SCHEMBL16855416 0.84 GAA (0.61) GAAGFERSLC2A1KDM4EKMT2A
SCHEMBL16832447 0.84 GAA (0.54) GAAGFERRAB9ASLC2A1FAAH
SCHEMBL4597918 0.82 GAA (0.57) GAARAB9AFAAHKMT2AALDH1A1
SCHEMBL16855660 0.81 GAA (0.56) GAARAB9AFAAHKMT2AALDH1A1
SCHEMBL16833056 0.81 GAA (0.57) GAAGFERSLC2A1KDM4EKMT2A
SCHEMBL16832427 0.80 ALDH1A1 (0.70) GAARAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL16832526 0.79 KDM4E (0.68) GAAGFERSLC2A1KDM4EKMT2A
SCHEMBL16832321 0.79 GAA (0.69) GAAGFERRAB9ASLC2A1KDM4E
SCHEMBL16832454 0.78 GAA (0.78) GAAGFERSLC2A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357477-B2 Anticancer compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-07-23 US disclosed
US-20180071258-A1 ANTICANCER COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-03-15 US disclosed
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
EP-3083598-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 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 (3 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-20180071258-A1 ANTICANCER COMPOUNDS RB1, MCL1, TP53 GAA 1917/4885GFER 4003/4885RAB9A 375/4885
US-10357477-B2 Anticancer compounds RB1, MCL1, TP53 GAA 1917/4885GFER 4003/4885RAB9A 375/4885
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 GAA 86/4885GFER 2535/4885RAB9A 1843/4885

“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.