SCHEMBL1685123

SCHEMBL1685123

CCC(C)N1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)C=NC5=O)n4ccnc34)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.34
BDKRB1 P46663 1/20 0.34
BTK Q06187 2/20 0.33
RIPK1 Q13546 2/20 0.33
CCND1 P24385 3/20 0.33
CDK6 Q00534 3/20 0.33
MAPKAPK5 Q8IW41 2/20 0.32
DRD3 P35462 1/20 0.32
ALK Q9UM73 1/20 0.32
CFTR P13569 4/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
CDK9 P50750 1/20 0.32
CDK3 Q00526 1/20 0.32

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
SCHEMBL1685148 0.93 HRH3 (0.38) MAPKAPK2BTKRIPK1CCND1CDK6
SCHEMBL1685151 0.90 CCND1 (0.39) MAPKAPK2BTKRIPK1CCND1CDK6
SCHEMBL1685124 0.87 MAPKAPK5 (0.46) MAPKAPK2BDKRB1BTKCCND1CDK6
SCHEMBL12618749 0.87 MAPKAPK5 (0.45) MAPKAPK2BDKRB1BTKCCND1CDK6
SCHEMBL1685204 0.86 RIPK1 (0.43) BTKRIPK1CCND1CDK6MAPKAPK5
SCHEMBL1685336 0.85 JAK1 (0.35) MAPKAPK2RIPK1DRD3ALK
SCHEMBL1685173 0.82 MKNK1 (0.43)
SCHEMBL3881243 0.81 CDK1 (0.39) EGLN1CDK1CDK2
SCHEMBL10165790 0.81 MAPKAPK2 (0.35) MAPKAPK2BDKRB1BTKRIPK1CCND1
SCHEMBL1685115 0.79 MAPKAPK5 (0.48) MAPKAPK2CCND1CDK6MAPKAPK5CFTR

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-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2009-02-19 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 (2 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 MAPKAPK2 37/4885BDKRB1 825/4885BTK 1809/4885
US-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases COL2A1, MMP1, COL1A1 MAPKAPK2 37/4885BDKRB1 825/4885BTK 1809/4885

“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.