SCHEMBL16832841

SCHEMBL16832841

Cc1nn(Cc2ccc(C#N)cc2)c(C(C)C)c1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
GFER P55789 1/20 0.47
TSHR P16473 1/20 0.46
SLC2A1 P11166 2/20 0.46
KDM4E B2RXH2 2/20 0.44
CYP19A1 P11511 5/20 0.42
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
POLB P06746 2/20 0.38
HTR2C P28335 1/20 0.38
CACNA1H O95180 1/20 0.37
P2RY14 Q15391 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CYP2A6 P11509 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
SLC2A3 P11169 1/20 0.36
SLC2A4 P14672 1/20 0.36

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
SCHEMBL18482888 0.86 CYP11B1 (0.43) GAAGFERTSHRCYP19A1CYP11B1
SCHEMBL16832421 0.83 GAA (0.68) GAAGFERTSHRSLC2A1KDM4E
SCHEMBL16832331 0.82 SLC2A1 (0.43) SLC2A1CYP19A1SLC2A3SLC2A4
SCHEMBL16832458 0.80 GAA (0.48) GAAGFERTSHRSLC2A1KDM4E
SCHEMBL16832906 0.79 MAPT (0.50) GAACYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL16833160 0.78 GAA (0.47) GAAGFERTSHRSLC2A1KDM4E
SCHEMBL16833740 0.77 SLC2A1 (0.48) GAAGFERTSHRSLC2A1KDM4E
SCHEMBL17458964 0.77 CYP19A1 (0.45) TSHRKDM4ECYP19A1CYP11B1CYP11B2
SCHEMBL18485355 0.75 SLC2A1 (0.44) SLC2A1CYP19A1CYP11B1CYP11B2SLC2A3
SCHEMBL18482887 0.72 SLC2A1 (0.44) SLC2A1CYP19A1CYP11B1CYP11B2HTR2C

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
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
US-8080500-B2 Amine tungstates and lubricant compositions KING INDUSTRIES, INC. (US) 2011-12-20 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 (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 86/4885GFER 2535/4885TSHR 2637/4885

“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.