SCHEMBL4169015

SCHEMBL4169015

CC(=O)N1CCC(Cn2c(=O)c(-c3ccccc3C)cc3cnc(NN4CC5CCCC5C4)nc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 17/20 0.46
STK4 Q13043 1/20 0.40
STK3 Q13188 1/20 0.40
SIK2 Q9H0K1 1/20 0.40
STK26 Q9P289 1/20 0.40
STK24 Q9Y6E0 1/20 0.40
BRD4 O60885 1/20 0.40
SRC P12931 1/20 0.39
PAK1 Q13153 1/20 0.39

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
SCHEMBL4179420 0.94 TNK2 (0.46) TNK2STK4STK3SIK2STK26
SCHEMBL4180916 0.91 TNK2 (0.49) TNK2STK4STK3SIK2STK26
SCHEMBL4187069 0.90 TNK2 (0.45) TNK2
SCHEMBL4186281 0.86 TNK2 (0.45) TNK2SRCPAK1
SCHEMBL4182490 0.85 TNK2 (0.45) TNK2SIK2SRCPAK1
SCHEMBL4169005 0.84 PAK1 (0.49) TNK2STK4STK3SIK2STK26
SCHEMBL4187213 0.83 TNK2 (0.44) TNK2SIK2SRCPAK1
SCHEMBL4168908 0.83 PAK1 (0.50) TNK2STK4STK3SIK2STK26
SCHEMBL13928696 0.83 TNK2 (0.44) TNK2SRCPAK1
SCHEMBL4176364 0.83 TNK2 (0.43) TNK2PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 US claimed
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 US disclosed
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 US disclosed
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 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-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS IL1B, TPMT, IL1R1 TNK2 994/4885STK4 2513/4885STK3 3709/4885

“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.