SCHEMBL10166401

SCHEMBL10166401

O=C(NCCN1CCOCC1)c1ccc(Nc2ccc(-c3ccc4c(c3)CNCO4)n3ccnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 13/20 0.46
HPGDS O60760 2/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
HPGD P15428 1/20 0.42
MAPK14 Q16539 1/20 0.40
MAPKAPK5 Q8IW41 1/20 0.40

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
SCHEMBL10166349 0.94 BRAF (0.42) CD274AURKAAURKBHPGDMAPK14
SCHEMBL10166145 0.94 BRAF (0.42) CD274HPGDMAPK14
SCHEMBL10165789 0.90 NAMPT (0.39) HPGD
SCHEMBL10166155 0.88 TTK (0.35) MAPKAPK5
SCHEMBL10166358 0.87 BRAF (0.38) AURKAAURKBMAPK14MAPKAPK5
SCHEMBL10166838 0.86 FYN (0.45) AURKAAURKBMAPK14
SCHEMBL10166351 0.86 MAPKAPK5 (0.43) MAPKAPK5
SCHEMBL1685166 0.86 MAPKAPK5 (0.55) CD274HPGDSAURKAAURKBHPGD
SCHEMBL10166148 0.85 POLB (0.40)
SCHEMBL10166840 0.85 FYN (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N. V. (BE) 2012-01-12 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-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES COL2A1, MMP1, COL1A1 CD274 2609/4885HPGDS 49/4885AURKA 3833/4885

“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.