SCHEMBL4189927

SCHEMBL4189927

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.49
PAK2 Q13177 3/20 0.49
SIK2 Q9H0K1 4/20 0.48
STK4 Q13043 3/20 0.48
STK3 Q13188 3/20 0.48
STK26 Q9P289 3/20 0.48
STK24 Q9Y6E0 3/20 0.48
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCND2 P30279 1/20 0.42
CCND3 P30281 1/20 0.42
LYN P07948 1/20 0.42
SRC P12931 1/20 0.42
BTK Q06187 1/20 0.42
CYP1A2 P05177 9/20 0.41
CYP3A4 P08684 8/20 0.41
ALDH1A1 P00352 7/20 0.41
CYP2C19 P33261 4/20 0.41
USP2 O75604 2/20 0.41
TSHR P16473 3/20 0.40

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
SCHEMBL4179462 0.87 PAK1 (0.48) PAK1PAK2SIK2STK4STK3
SCHEMBL4737969 0.83 LYN (0.45) PAK1SIK2CDK4CCND1CCND2
SCHEMBL29498221 0.82 RIPK2 (0.57) SIK2STK4STK3STK26STK24
SCHEMBL20563509 0.82 RIPK2 (0.57) SIK2STK4STK3STK26STK24
SCHEMBL4181003 0.82 PAK1 (0.51) PAK1PAK2SIK2STK4STK3
SCHEMBL4169067 0.81 TNK2 (0.45) PAK1PAK2SIK2STK4STK3
SCHEMBL22191283 0.79 ALDH1A1 (0.42) SIK2STK4STK3STK26STK24
SCHEMBL29352983 0.79 ALDH1A1 (0.42) SIK2STK4STK3STK26STK24
SCHEMBL22191244 0.77 CYP1A2 (0.44) PAK1PAK2SIK2STK4STK3
SCHEMBL29353887 0.77 CYP1A2 (0.44) PAK1PAK2SIK2STK4STK3

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 3 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 disclosed
EP-1846403-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2007-10-24 EP disclosed
WO-2006082492-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 WO 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.