SCHEMBL4178386

SCHEMBL4178386

COCCn1c(=O)c(-c2ccccc2C)cc2cnc(NN3CC4CCCC4C3)nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 5/20 0.50
PAK2 Q13177 4/20 0.50
SIK2 Q9H0K1 4/20 0.47
STK4 Q13043 3/20 0.47
STK3 Q13188 3/20 0.47
STK26 Q9P289 3/20 0.47
STK24 Q9Y6E0 3/20 0.47
TNK2 Q07912 8/20 0.46
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCND2 P30279 1/20 0.44
CCND3 P30281 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SIK1 P57059 1/20 0.42
SIK3 Q9Y2K2 1/20 0.42
RIPK2 O43353 1/20 0.41
ACVR1 Q04771 1/20 0.41

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
SCHEMBL4178500 0.95 PAK1 (0.46) PAK1PAK2SIK2STK4STK3
SCHEMBL4180959 0.92 CDK4 (0.45) PAK1PAK2SIK2STK4STK3
SCHEMBL4193028 0.91 PAK1 (0.54) PAK1PAK2SIK2STK4STK3
SCHEMBL4168908 0.91 PAK1 (0.50) PAK1PAK2SIK2STK4STK3
SCHEMBL4169005 0.90 PAK1 (0.49) PAK1PAK2SIK2STK4STK3
SCHEMBL4183783 0.90 TNK2 (0.47) PAK1PAK2SIK2STK3STK26
SCHEMBL4176152 0.88 TNK2 (0.46) PAK1PAK2SIK2TNK2SIK1
SCHEMBL4180916 0.87 TNK2 (0.49) PAK1SIK2STK4STK3STK26
SCHEMBL4171540 0.86 SIK2 (0.52) PAK1PAK2SIK2STK4STK3
SCHEMBL4173629 0.86 TNK2 (0.46) PAK1PAK2SIK2TNK2CDK4

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 PAK1 783/4885PAK2 1485/4885SIK2 4195/4885

“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.