SCHEMBL16832633

SCHEMBL16832633

Cc1ccccc1Cn1nc(C)c(N)c1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
KDM4E B2RXH2 2/20 0.66
GFER P55789 1/20 0.55
TSHR P16473 1/20 0.55
SLC2A1 P11166 1/20 0.54
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 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
SCHEMBL16832792 0.84 GAA (0.68) GAAMEN1KMT2AKDM4EGFER
SCHEMBL18483486 0.83 TSHR (0.57) GAAMEN1KMT2AKDM4ETSHR
SCHEMBL16832430 0.80 GAA (0.63) GAAMEN1KMT2AKDM4EGFER
SCHEMBL10186934 0.79 KDM4E (1.00) GAAMEN1KMT2AKDM4EGFER
SCHEMBL19951208 0.78 GAA (0.60) GAAMEN1KMT2AKDM4EGFER
SCHEMBL16832556 0.77 GAA (0.59) GAAMEN1KMT2AKDM4EGFER
SCHEMBL22633317 0.77 POLB (0.55) GAAMEN1KMT2AKDM4ETSHR
SCHEMBL16832499 0.76 KDM4E (0.56) GAAMEN1KMT2AKDM4EGFER
SCHEMBL16855654 0.76 KDM4E (0.56) GAAMEN1KMT2AKDM4ETSHR
SCHEMBL19951242 0.76 GAA (0.58) GAAMEN1KMT2AKDM4EGFER

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
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
CN-106029647-A Glucose transport inhibitors 拜耳制药股份公司 2016-10-12 CN 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 (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-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 GAA 86/4885MEN1 1015/4885KMT2A 3367/4885

“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.