SCHEMBL17021900

SCHEMBL17021900

CCCCOC[C@H](NC(=O)OC(C)(C)C)c1nn[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.41
TSHR P16473 1/20 0.40
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
CTSK P43235 9/20 0.36
PTPN1 P18031 1/20 0.35
CTSS P25774 1/20 0.35
KMT2A Q03164 1/20 0.33

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
SCHEMBL18762450 0.79 GRN (0.58) NAALAD2TSHRGRNSORT1ALDH1A1
SCHEMBL18762452 0.79 GRN (0.58) NAALAD2TSHRGRNSORT1ALDH1A1
SCHEMBL17021876 0.79 TSHR (0.41) TSHRALDH1A1L3MBTL1LMNACTSK
SCHEMBL17021897 0.78 GHSR (0.41) TSHRALDH1A1L3MBTL1LMNACTSK
SCHEMBL29677972 0.77 NAALAD2 (0.69) NAALAD2TSHRGRNSORT1ALDH1A1
SCHEMBL17021889 0.77 TSHR (0.40) TSHRALDH1A1L3MBTL1LMNACTSK
SCHEMBL17021888 0.74 TSHR (0.41) TSHRALDH1A1L3MBTL1LMNACTSK
SCHEMBL24058755 0.74 TSHR (0.38) PLA2G2CTSHRALDH1A1L3MBTL1LMNA
SCHEMBL20057137 0.74 TSHR (0.38) PLA2G2CTSHRALDH1A1L3MBTL1LMNA
SCHEMBL20204233 0.74 PIN1 (0.57) TSHRALDH1A1LMNACTSKCTSS

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-9278968-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-03-08 US disclosed
US-20150232464-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2015-08-20 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-20150232464-A1 IMIDAZOPYRIDINE COMPOUNDS PRKG1, PDE3B, PDE3A PLA2G2C 682/4885NAALAD2 2245/4885TSHR 4263/4885

“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.