SCHEMBL10166437

SCHEMBL10166437

CCN1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNCO5)n4ccnc34)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 4/20 0.37
CDK6 Q00534 4/20 0.37
MAPKAPK2 P49137 1/20 0.36
CDK4 P11802 1/20 0.36
CCND3 P30281 1/20 0.36
MAPKAPK5 Q8IW41 2/20 0.35
DYRK2 Q92630 1/20 0.34
PTK6 Q13882 2/20 0.34
LCK P06239 1/20 0.34
AURKB Q96GD4 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ALK Q9UM73 1/20 0.34
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
RIPK1 Q13546 1/20 0.33
BTK Q06187 1/20 0.33
FLT3 P36888 1/20 0.33
PRKCI P41743 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL10166814 0.91 DRD2 (0.36) MAPKAPK2MAPKAPK5PTK6LCKAURKB
SCHEMBL10165790 0.90 MAPKAPK2 (0.35) CCND1CDK6MAPKAPK2MAPKAPK5PTK6
SCHEMBL10166161 0.90 CDK6 (0.37) CCND1CDK6MAPKAPK2MAPKAPK5DYRK2
SCHEMBL10166351 0.89 MAPKAPK5 (0.43) MAPKAPK5PTK6RIPK1BTK
SCHEMBL10166425 0.86 ALDH1A1 (0.41) MAPKAPK2MAPKAPK5ALKPRKCI
SCHEMBL10166356 0.85 L3MBTL3 (0.42) PIK3CAMTOR
SCHEMBL10166412 0.85 L3MBTL3 (0.37) PIK3CAMTOR
SCHEMBL10166405 0.84 IKBKB (0.38) PIK3CAMTORTLR9TLR8TLR7
SCHEMBL1685154 0.84 MAPKAPK5 (0.48) CCND1CDK6MAPKAPK2CDK4CCND3
SCHEMBL10165787 0.84 FYN (0.37) CCND1CDK6CDK4CCND3MAPKAPK5

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 CCND1 1362/4885CDK6 359/4885MAPKAPK2 37/4885

“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.