SCHEMBL10133637

SCHEMBL10133637

CN(C)S(=O)(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 3/20 0.48
AURKA O14965 2/20 0.47
JAK2 O60674 12/20 0.37
JAK1 P23458 12/20 0.37
CHEK1 O14757 1/20 0.36
PIK3CA P42336 1/20 0.36
ATR Q13535 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
ROCK2 O75116 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
SCHEMBL10134343 0.89 MAPKAPK5 (0.50) MAPKAPK5AURKAJAK2JAK1AURKB
SCHEMBL10133631 0.83 MAPKAPK5 (0.48) MAPKAPK5CCNA2CDK2CYP1A2CYP3A4
SCHEMBL1685156 0.83 MAPKAPK5 (0.51) MAPKAPK5AURKAJAK2CCNA2CDK2
SCHEMBL10133592 0.83 MAPKAPK5 (0.49) MAPKAPK5AURKAJAK2JAK1CDK2
SCHEMBL14162836 0.82 MAPKAPK5 (0.50) MAPKAPK5AURKAJAK2ROCK2
SCHEMBL14162793 0.81 MAPKAPK5 (0.50) MAPKAPK5ROCK2
SCHEMBL14162745 0.81 MAPKAPK5 (0.58) MAPKAPK5AURKAJAK2JAK1CDK2
SCHEMBL12618824 0.81 MAPKAPK5 (0.44) MAPKAPK5JAK2JAK1
SCHEMBL13922261 0.80 MAPKAPK5 (0.49) MAPKAPK5JAK2JAK1CCNA2CDK2
SCHEMBL14162528 0.79 MAPKAPK5 (0.48) MAPKAPK5ROCK2

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-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N. V. (BE) 2012-01-12 US disclosed
US-7951818-B2 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-05-31 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 MAPKAPK5 19/4885AURKA 3833/4885JAK2 1510/4885

“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.