SCHEMBL17018575

SCHEMBL17018575

CC(C)n1nnc([C@H](CO)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
GUCY1B2 O75343 1/20 0.42
GUCY1A2 P33402 1/20 0.42
GUCY1A1 Q02108 1/20 0.42
GUCY1B1 Q02153 1/20 0.42
HTT P42858 2/20 0.40
TSHR P16473 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
TP53 P04637 2/20 0.38
CTSK P43235 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
MEN1 O00255 4/20 0.38
HSD17B10 Q99714 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL17018577 0.88 GUCY1B2 (0.43) MAPK1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL17018571 0.86 MAPK1 (0.42) MAPK1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL17018456 0.85 MAPK1 (0.41) MAPK1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL17018604 0.79 GHSR (0.58) KMT2ANPSR1MEN1CTSS
SCHEMBL17018486 0.72 MAPK1 (0.41) MAPK1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL17021889 0.71 TSHR (0.40) HTTTSHRTP53CTSKMAPT
SCHEMBL27111241 0.67 CA1 (0.41) MAPK1CA1CA2CA7CTSK
SCHEMBL31407232 0.67 ROCK2 (0.46) MAPK1CTSKALDH1A1CTSS
SCHEMBL69002 0.66 CA1 (0.55) HTTCA1CA2CA7CTSK
SCHEMBL57084 0.66 CA1 (0.55) HTTCA1CA2CA7CTSK

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 MAPK1 152/4885GUCY1B2 26/4885GUCY1A2 16/4885

“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.