SCHEMBL10166032

SCHEMBL10166032

CCN1CCC[C@H]1CNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNCO4)n3ccnc23)cc1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
IKBKB O14920 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
DRD2 P14416 5/20 0.36
MAPKAPK5 Q8IW41 1/20 0.35

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
SCHEMBL10165992 0.92 IKBKB (0.44) IKBKBMALT1
SCHEMBL1685202 0.87 MAPKAPK5 (0.41) PIK3CAMTORIKBKBMEN1KMT2A
SCHEMBL1685199 0.87 MAPKAPK5 (0.41) PIK3CAMTORIKBKBMEN1KMT2A
SCHEMBL14162589 0.83 MAPKAPK5 (0.39) PIK3CAMTORMALT1DRD2MAPKAPK5
SCHEMBL13922260 0.80 MAPKAPK5 (0.41) IKBKBMALT1DRD2MAPKAPK5
SCHEMBL10166023 0.80 CSF1R (0.39) PIK3CAMTORMAPKAPK5
SCHEMBL10166432 0.79 MAPKAPK5 (0.35) MAPKAPK5
SCHEMBL10166168 0.79 PTK6 (0.38) PIK3CAMTORMAPKAPK5
SCHEMBL1685179 0.78 MAPKAPK5 (0.44) IKBKBMALT1DRD2MAPKAPK5
SCHEMBL1685180 0.78 MAPKAPK5 (0.44) IKBKBMALT1DRD2MAPKAPK5

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 PIK3CA 1298/4885MTOR 1365/4885IKBKB 135/4885

“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.