SCHEMBL4178516

SCHEMBL4178516

O=c1c(-c2ccccc2F)cc2cnc(NN3CC4CCCC4C3)nc2n1CC1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 8/20 0.48
SIK2 Q9H0K1 4/20 0.42
STK26 Q9P289 2/20 0.42
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
STK24 Q9Y6E0 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCND2 P30279 1/20 0.42
CCND3 P30281 1/20 0.42
PAK1 Q13153 6/20 0.41
SIK1 P57059 3/20 0.40
SIK3 Q9Y2K2 3/20 0.40
GAK O14976 1/20 0.40
ABL1 P00519 1/20 0.40
EPHA1 P21709 1/20 0.40
EPHA2 P29317 1/20 0.40
EPHA3 P29320 1/20 0.40
EPHB2 P29323 1/20 0.40
MAPK8 P45983 1/20 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
SCHEMBL4180916 0.89 TNK2 (0.49) TNK2SIK2STK26STK4STK3
SCHEMBL4178376 0.87 TNK2 (0.43) TNK2SIK2PAK1SIK1SIK3
SCHEMBL4183495 0.85 WEE1 (0.52) TNK2ABL1SRC
SCHEMBL4186207 0.85 TNK2 (0.44) TNK2SIK2STK26STK4STK3
SCHEMBL4193017 0.84 CCND1 (0.44) TNK2CDK4CCND1CCND2CCND3
SCHEMBL4186590 0.84 CCND1 (0.48) CDK4CCND1CCND2CCND3BTK
SCHEMBL4179420 0.81 TNK2 (0.46) TNK2SIK2STK26STK4STK3
SCHEMBL4169015 0.81 TNK2 (0.46) TNK2SIK2STK26STK4STK3
SCHEMBL4168908 0.80 PAK1 (0.50) TNK2SIK2STK26STK4STK3
SCHEMBL4187838 0.79 TNK2 (0.50) TNK2SIK2PAK1SIK1SIK3

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 994/4885SIK2 4195/4885STK26 3694/4885

“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.