SCHEMBL22047261

SCHEMBL22047261

CN[C@H](C)C(N)CC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SLC1A1 P43005 1/20 0.33
KCNA5 P22460 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AB1 P08238 1/20 0.31
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL9970276 0.80 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL8989873 0.80 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL9970576 0.80 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL13867763 0.79 TSHR (0.37) TSHRHSD17B10MGAMGAASI
Hydrochloric Acid SCHEMBL5419950 0.78 TSHR (0.40) TSHRHSD17B10MGAMGAASI
Hydrochloric Acid SCHEMBL9936423 0.78 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL28740616 0.77 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL1661431 0.75
SCHEMBL1144127 0.75
SCHEMBL4375047 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11071730-B2 Substituted 6-azabenzimidazole compounds GILEAD SCIENCES, INC. (US) 2021-07-27 US disclosed
US-20200171020-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2020-06-04 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-11071730-B2 Substituted 6-azabenzimidazole compounds CDK6, HIPK1, DCK TSHR 4603/4885HSD17B10 1769/4885MGAM 4356/4885
US-20200171020-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK TSHR 4603/4885HSD17B10 1769/4885MGAM 4356/4885

“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.